Basic information
- CAS
16747-86-7- Standard SMILES
CC(C)CC(NC(=O)C1CCCN1C(=O)C(CSCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NCC(N)=O- InChIKey
LKKTUZFDONFJKQ-UHFFFAOYSA-N- Molecular formula
- C31H41N5O6S
- Average molar mass
- 611.8 g/mol
- Monoisotopic mass
- 611.27775522
Names & identifiers
- Preferred name
- S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylprolylleucylglycinamide
- IUPAC
- benzyl N-[1-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-benzylsulfanyl-1-oxopropan-2-yl]carbamate
Names & synonyms
16747-86-7NSC270032DTXSID30313418NSC-270032S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylprolylleucylglycinamide
Database identifiers
- CAS
16747-86-7- PubChem CID
- 320897
- DTXSID
DTXSID30313418
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 938
Related reactions
1 records
Compound notes
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