2-[[5-[4-(cyclohexen-1-yl)-3-methyl-phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[5-[4-(cyclohexen-1-yl)-3-methyl-phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[5-[4-(cyclohexen-1-yl)-3-methyl-benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbonyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[5-[[4-(1-cyclohexenyl)-3-methylphenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[5-[4-(cyclohexen-1-yl)-3-methylbenzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbonyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[5-[4-(cyclohexen-1-yl)-3-methyl-benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbonyl]amino]-3-hydroxy-propionic acid Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)NC(CO)C(=O)O)C5=CCCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)NC(CO)C(=O)O)C5=CCCCC5

InChI

InChI=1S/C30H31N3O5/c1-19-15-21(11-13-24(19)20-7-3-2-4-8-20)29(36)33-17-23-12-14-27(28(35)31-25(18-34)30(37)38)32(23)16-22-9-5-6-10-26(22)33/h5-7,9-15,25,34H,2-4,8,16-18H2,1H3,(H,31,35)(H,37,38)