Basic information
- Standard SMILES
C=CCC(CC=C)(C(=O)O)C(CC(C)C)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O- InChIKey
ILGDJQHTMVWXFE-UHFFFAOYSA-N- Molecular formula
- C30H35N3O4
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- 2-Allyl-2-[3-methyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e] [1,4]diazepin-3-ylcarbamoyl)-butyl]-pent-4-enoic acid
- IUPAC
- 5-methyl-3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2,2-bis(prop-2-enyl)hexanoic acid
Names & synonyms
SCHEMBL4143906ILGDJQHTMVWXFE-UHFFFAOYSA-N2-Allyl-2-[3-methyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e] [1,4]diazepin-3-ylcarbamoyl)-butyl]-pent-4-enoic acid2-Allyl-2-[3-methyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylcarbamoyl)-butyl]-pent-4-enoic acid
Database identifiers
- PubChem CID
- 22288232
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 879
Related reactions
7 records
Compound notes
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