Basic information
- CAS
2130-99-6- Standard SMILES
CCC(C)C(NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
NJDZCCJYUBNBMK-UHFFFAOYSA-N- Molecular formula
- C20H22N2O6
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.14778643
Overview
See other relationships...
Names & identifiers
- Preferred name
- p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate
- IUPAC
- (4-nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate
- English name
- Z-Ile-ONp
- Molecular formula
- C20H22N2O6
- Molecular weight
- 386.4
Names & synonyms
p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinatep-nitrophenyl N-[(benzyloxy)carbonyl]-L-isoleucinateSCHEMBL7278888DTXSID80943805(4-nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoateEINECS 218-351-5MB00426DB-045538(4-nitrophenyl) 2-(benzyloxycarbonylamino)-3-methyl-pentanoate4-Nitrophenyl N-[(benzyloxy)(hydroxy)methylidene]isoleucinate(2S,3S)-4-nitrophenyl 2-(((benzyloxy)carbonyl)amino)-3-methylpentanoateZ-Ile-ONp
Show more names
Z-L-Ile-ONpCBZ-Ile-ONPZ-ISOLEUCINE-ONPZ-ILE-ONP ISO 9001：2015 REACHZ-L-ISOLEUCINE P-NITROPHENYL ESTERZ-L-ISOLEUCINE 4-NITROPHENYL ESTERN-CBZ-L-ISOLEUCINE P-NITROPHENYL ESTERN-CARBOBENZOXY-L-ISOLEUCINE-P-NITROPHENYL ESTERN-Carbobenzoxy-L-isoleucine 4-nitrophenyl ester
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
- 521
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- powder
- BRN
- 3176084 · 3176084
- Major Application
- peptide synthesis
- InChI
- 1S/C20H22N2O6/c1-3-14(2)18(21-20(24)27-13-15-7-5-4-6-8-15)19(23)28-17-11-9-16(10-12-17)22(25)26/h4-12,14,18H,3,13H2,1-2H3,(H,21,24)/t14-,18-/m0/s1
- InChIKey
- NJDZCCJYUBNBMK-KSSFIOAISA-N
- SMILES
- CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+]([O-])=O
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 22 · NA.22
- 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
- Storage Class
- 11 · 11 - Combustible Solids
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
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Usespeptide synthesis
Suppliers42 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
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]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海安化生物技术有限公司
Related reactions
0 records
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Compound notes
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