(2S)-N-((1S,2S)-3-{(2S,4S)-2-[N-(tert-butyl)carbamoyl]-4-morpholinopyrrolidinyl}-2-hydroxy-3-oxo-1-benzylpropyl)-3-carbamoyl-2-[(phenylmethoxy)carbonylamino]propanamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C)NC(=O)[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1- InChIKey
XNEUYGZABAETPL-KGEMVMTLSA-N- Molecular formula
- C35H48N6O8
- Average molar mass
- 680.8 g/mol
Names & identifiers
- Preferred name
- (2S)-N-((1S,2S)-3-{(2S,4S)-2-[N-(tert-butyl)carbamoyl]-4-morpholinopyrrolidinyl}-2-hydroxy-3-oxo-1-benzylpropyl)-3-carbamoyl-2-[(phenylmethoxy)carbonylamino]propanamide
- IUPAC
- benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)-4-morpholin-4-ylpyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Names & synonyms
SCHEMBL7305618XNEUYGZABAETPL-KGEMVMTLSA-NZ-Asn-(2S,3S)-AHPBA-[4(S)-morpholino]Pro t-butylamine(2S)-N-((1S,2S)-3-{(2S,4S)-2-[N-(tert-butyl)carbamoyl]-4-morpholinopyrrolidinyl}-2-hydroxy-3-oxo-1-benzylpropyl)-3-carbamoyl-2-[(phenylmethoxy)carbonylamino]propanamide(4S)-1-[(2S,3S)-3-(N2 -Benzyloxycarbonyl-L-asparaginyl)amino-2-hydroxy-4-phenylbutyryl]-N-t-butyl-4-morpholino-L-prolinamidebenzyl N-[(1S)-3-amino-1-[[(1S,2S)-1-benzyl-3-[(2S,4S)-2-(tert-butylcarbamoyl)-4-morpholino-pyrrolidin-1-yl]-2-hydroxy-3-oxo-propyl]carbamoyl]-3-oxo-propyl]carbamate
Database identifiers
- PubChem CID
- 473129
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
1 records
Compound notes
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