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(S)-4-Nitrophenyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoate

HCID 97647
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1738-87-0
Standard SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
UALXQWNUXKECJD-SFHVURJKSA-N
Molecular formula
C20H22N2O6
Average molar mass
386.4 g/mol
Monoisotopic mass
386.14778642

Names & identifiers

Preferred name
(S)-4-Nitrophenyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoate
IUPAC
(4-nitrophenyl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
English name
Z-Leu-ONp
Molecular formula
C20H22N2O6
Molecular weight
386.4

Names & synonyms

Z-Leu-ONp1738-87-0(S)-4-Nitrophenyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoateMFCD00024656L-Leucine, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl esterp-Nitrophenyl N-((benzyloxy)carbonyl)-L-leucinate4-Nitrophenyl ((benzyloxy)carbonyl)-L-leucinateBenzyloxycarbonyl-L-leucine p-nitrophenyl esterzleuonpEINECS 217-098-8N-CBZ-L-LEUCINE-p-NITROPHENYL ESTERZ-LEUCINE-ONP
Show more names
CBZ-LEU-ONPZ-L-Leu-ONpZ-L-Leu-(p-Nitrophenyl)OHZ-L-LEUCINE 4-NITROPHENYL ESTERZ-L-LEUCINE-P-NITROPHENYL ESTERP-NITROPHENYLCARBOBENZOXY-L-LEUCINE
SCHEMBL3881009CHEMBL3278842DTXSID40169660Leucine, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl esterCBZ-L-LEU-P-NITROPHENYL ESTERN-Cbz-L-leucine 4-nitrophenyl Ester(4-nitrophenyl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoateAKOS016843117

Database identifiers

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
28
Formal charge
0
Complexity
519

Physicochemical properties

Boiling point
561.3 · 561.3±45.0 °C(Predicted)
Density
1.239 · 1.239±0.06 g/cm3(Predicted)
storage temp.
2 · Sealed in dry,2-8°C
pka
10.66 · 10.66±0.46(Predicted)
CAS DataBase Reference
1738 · 1738-87-0(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
280 · P280-P305+P351+P338
WGK Germany
3 · 3
F
8 · 8

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

F
8
wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

bis(p-nitrophenyl) sulphiteN-Cbz-L-Leucine4-Nitrophenyl chloroformate4-Nitrophenol

Suppliers30 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [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
凯试(上海)科技有限公司021-50135380 · [email protected]

Related reactions

4 records
New reaction record
HRID 866731 reaction equation
HRID 866731As reactantuspto-grants-1978_07
HRID 1076417 reaction equation
HRID 1076417As reactantuspto-grants-1976_05
HRID 1763726 reaction equation
HRID 1763726As reactantuspto-grants-1978_09
HRID 2083825 reaction equation
HRID 2083825As reactantuspto-grants-1978_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
CAS
1738-87-0
PubChem CID
97647
DTXSID
DTXSID40169660
ChEMBL
CHEMBL3278842
EC Number
217-098-8
Nikkaji
J203.146I
斯百全化学(上海)有限公司
021-021-021-67601398-809-809-809 15221380277 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海英奇曼化学科技有限公司18299177127 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
康化(上海)新药研发有限公司021-61263370 18516560301 · [email protected]
上海吉奉生物科技有限公司021-61263377 15023907684 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
无锡迈默拓普生物科技有限公司15061806929 · [email protected]
GL Biochem(Binhai) Ltd.+86-021-61263370 15301650015 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]