Basic information
- Standard SMILES
CC(C)C[C@@H](NC(=O)[C@H](O)Cc1ccccc1)C(=O)N1[C@H](C(=O)NCCC2=CCN(C(=N)N)C2)C[C@@H]2CC[C@@H](OC3OCC(O)C(O)C3O)C[C@@H]21- InChIKey
ZLUQPKGCJYFQGT-YJVKJUGDSA-N- Molecular formula
- C36H54N6O9
- Average molar mass
- 714.8 g/mol
- Monoisotopic mass
- 714.39522732
Names & identifiers
- Preferred name
- (2S,3aS,6R,7aS)-N-[2-(1-Carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl]-1-[(2R)-2-{[(2R)-2-hydroxy-3-phenylpropanoyl]amino}-4-methylpentanoyl]-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]octahydro-1H-indole-2-carboxamide
- IUPAC
- (2S,3aS,6R,7aS)-N-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethyl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-4-methylpentanoyl]-6-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Names & synonyms
(2S,3aS,6R,7aS)-N-[2-(1-Carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl]-1-[(2R)-2-{[(2R)-2-hydroxy-3-phenylpropanoyl]amino}-4-methylpentanoyl]-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]octahydro-1H-indole-2-carboxamide
Database identifiers
- PubChem CID
- 155802453
- DTXSID
DTXSID601334238
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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