Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCc1ccccc1- InChIKey
AIVOLESVBOLQAE-BHVANESWSA-N- Molecular formula
- C42H45N5O7
- Average molar mass
- 731.8 g/mol
Names & identifiers
- Preferred name
- (S)[[2-Benzyloxycarbonylamino-3-(1-trityl-1H-imidazol-4-yl)-propionyl]-(2-tert-butoxycarbonylamino-ethyl)-amino]-acetic acid
- IUPAC
- 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(2S)-2-(phenylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetic acid
Names & synonyms
SCHEMBL6813730AIVOLESVBOLQAE-BHVANESWSA-N(S)[[2-Benzyloxycarbonylamino-3-(1-trityl-1H-imidazol-4-yl)-propionyl]-(2-tert-butoxycarbonylamino-ethyl)-amino]-acetic acid
Database identifiers
- PubChem CID
- 18717554
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
2 records
Compound notes
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