N-Acetyl-beta-phenyl-D-phenylalanyl-L-isoleucyl-L-isoleucyl-L-tryptophan
Basic information
- CAS
148001-54-1- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
AQBIOZLGNZZQMQ-SWJQFOSBSA-N- Molecular formula
- C40H49N5O6
- Average molar mass
- 695.8 g/mol
- Monoisotopic mass
- 695.3682843
Names & identifiers
- Preferred name
- N-Acetyl-beta-phenyl-D-phenylalanyl-L-isoleucyl-L-isoleucyl-L-tryptophan
- IUPAC
- (2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2R)-2-acetamido-3,3-diphenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Names & synonyms
DTXSID50860858N-Acetyl-beta-phenyl-D-phenylalanyl-L-isoleucyl-L-isoleucyl-L-tryptophan(2S,5S,8S,11R)-5,8-Di[(2S)-butan-2-yl]-11-(diphenylmethyl)-2-[(1H-indol-3-yl)methyl]-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecan-1-oic acid148001-54-1
Database identifiers
- CAS
148001-54-1- PubChem CID
- 165367708
- DTXSID
DTXSID50860858
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,150
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Compound notes
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