Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(CCCC[C@H](NC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)O)Cc1ccccn1- InChIKey
ZJWFAAPEAPFXRT-NDEPHWFRSA-N- Molecular formula
- C33H40N4O7
- Average molar mass
- 604.7 g/mol
Names & identifiers
- Preferred name
- (S)-2((4-(N-Cbz)aminomethylbenzoyl)amino)-5-(N-Boc-2-picolylaminomethyl)valeric Acid
- IUPAC
- (2S)-6-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-2-ylmethyl)amino]-2-[[4-(phenylmethoxycarbonylaminomethyl)benzoyl]amino]hexanoic acid
Names & synonyms
ZJWFAAPEAPFXRT-NDEPHWFRSA-N(S)-2((4-(N-Cbz)aminomethylbenzoyl)amino)-5-(N-Boc-2-picolylaminomethyl)valeric Acid
Database identifiers
- PubChem CID
- 21043780
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 910
Related reactions
1 records
Compound notes
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