Basic information
- Standard SMILES
C[C@@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)O- InChIKey
JJURIMZITFXXJI-QWIDMIAISA-N- Molecular formula
- C45H51N5O9
- Average molar mass
- 805.9 g/mol
- Monoisotopic mass
- 805.36867822
Names & identifiers
- Preferred name
- Nalphat-Butoxycarbonyl-L-tryptophyl-O-benzyl-D-seryl-O-benzyl-L-tyrosyl-D-alanine
- IUPAC
- (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoic acid
Names & synonyms
JJURIMZITFXXJI-QWIDMIAISA-NNalphat-Butoxycarbonyl-L-tryptophyl-O-benzyl-D-seryl-O-benzyl-L-tyrosyl-D-alanine
Database identifiers
- PubChem CID
- 86734883
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 21
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,360
Related reactions
1 records
Compound notes
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