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4-{[(Benzyloxy)carbonyl]amino}-5-methoxy-5-oxopentanoic acid

HCID 244686
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
5672-83-3
Standard SMILES
COC(=O)C(CCC(=O)O)NC(=O)OCc1ccccc1
InChIKey
BGMCTGARFXPQML-UHFFFAOYSA-N
Molecular formula
C14H17NO6
Average molar mass
295.29 g/mol
Monoisotopic mass
295.10558726

Names & identifiers

Preferred name
4-{[(Benzyloxy)carbonyl]amino}-5-methoxy-5-oxopentanoic acid
IUPAC
5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
English name
Z-Glu-OMe
Molecular formula
C14H17NO6
Molecular weight
295.29

Names & synonyms

4-{[(BENZYLOXY)CARBONYL]AMINO}-5-METHOXY-5-OXOPENTANOIC ACID150823-40-8Z-L-Glutamic acid 1-methyl ester4-(((Benzyloxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acidNSC557815-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acidN-Carbobenzyloxy-L-glutamic acid 1-methyl ester(S)-4-benzyloxycarbonylamino-4-methoxycarbonylbutanoic acidNCIOpen2_001956SCHEMBL6259518Z-D-glutamic acid a-methyl esterZ-L-glutamic acid a-methyl ester
Show more names
1-Methyl N-Carbobenzoxy-L-glutamateZ-Glu-OMeZ-L-GLU-OMECBZ-Glu-OMeN-Cbz-L-Glu-OMeZ-L-Glu-OMe 98%Z-GLUTAMIC ACID-OMEZ-GLU-OME USP/EP/BP1-Methyl N-Cbz-L-glutamateZ-L-GLUTAMIC ACID A-METHYLESTER
NSC-55781LS-14304PD196679EN300-2959444-(benzyloxycarbonylamino)-5-methoxy-5-oxo-pentanoic acid4-{[(BENZYLOXY)CARBONYL]AMINO}-5-METHOXY-5-OXOPENTANOICACID

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
21
Formal charge
0
Complexity
364

Physicochemical properties

Melting point
68 · 68-70 °C(lit.)
Boiling point
436.98 °C · 436.98°C (rough estimate)
Density
1.2393 · 1.2393 (rough estimate)
refractive index
1.4365 · 1.4365
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka
4.48 · 4.48±0.10(Predicted)
form
powder to crystal
color
White to Almost white
optical activity
20 · [α]20/D 24.0±1°, c = 1% in ethanol
BRN
2567599 · 2567599
Major Application
peptide synthesis
InChI
1S/C14H17NO6/c1-20-13(18)11(7-8-12(16)17)15-14(19)21-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,17)/t11-/m0/s1
InChIKey
BGMCTGARFXPQML-NSHDSACASA-N
SMILES

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29242990
safety_code
22-24/25
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

Usespeptide synthesis

Upstream & downstream products

Downstream products

(4S)-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
5672-83-3
PubChem CID
244686
Nikkaji
J2.659.325E
COC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1
CAS DataBase Reference
5672 · 5672-83-3
UNSPSC Code
12352200 · 12352200
NACRES
22 · NA.22
PPE
95 · Eyeshields, Gloves, type N95 (US)
Safety Statements
22 · 22-24/25
WGK Germany
3 · 3
HS Code
29242990 · 29242990
Storage Class
11 · 11 - Combustible Solids
广东百科试剂有限公司
13532366769 13686183698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海隆盛化工有限公司58099637 13585536065 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
ChemPep, Inc.+1 (888) 615-9178 / (561) 791-8787 · [email protected]
杭州东帆化学有限公司86-0571-85151182
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
吉尔生化(玉门)有限公司18221406464 18221406464;13236395639 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海思言生物科技有限公司021-50908862,442785678,326799392 18721037013 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海英奇曼化学科技有限公司18299177127 · [email protected]