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

HCID 22288232

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

Related reactions

7 records

Compound notes

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