(2S)-2-(3-cyclopent-2-en-1-ylpropanoylamino)-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: (2S)-2-(3-cyclopent-2-en-1-ylpropanoylamino)-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: (2S)-2-(3-cyclopent-2-en-1-ylpropanoylamino)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: (2S)-2-[[3-(1-cyclopent-2-enyl)-1-oxopropyl]amino]-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: (2S)-2-(3-cyclopent-2-en-1-ylpropanoylamino)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: (2S)-2-(3-cyclopent-2-en-1-ylpropanoylamino)-N-[(3S)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C27H30N4O3 MolecularWeight: 458.5521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CCC4CCC=C4

Isomeric SMILES

C[C@@H](C(=O)N[C@@H]1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CCC4CCC=C4

InChI

InChI=1S/C27H30N4O3/c1-18(28-23(32)17-16-19-10-6-7-11-19)26(33)30-25-27(34)31(2)22-15-9-8-14-21(22)24(29-25)20-12-4-3-5-13-20/h3-6,8-10,12-15,18-19,25H,7,11,16-17H2,1-2H3,(H,28,32)(H,30,33)/t18-,19?,25+/m0/s1