2-[8-[methyl(4-pyridin-3-ylbutyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[methyl(4-pyridin-3-ylbutyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[methyl-[4-(3-pyridyl)butyl]carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[methyl-[4-(3-pyridinyl)butyl]amino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[methyl(4-pyridin-3-ylbutyl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-8-[methyl-[4-(3-pyridyl)butyl]carbamoyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C30H34N4O4 MolecularWeight: 514.61536

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=CN=CC=C1)C(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

CN(CCCCC1=CN=CC=C1)C(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C30H34N4O4/c1-33(16-6-5-10-23-11-7-15-31-20-23)29(37)24-12-13-25-21-34(17-14-22-8-3-2-4-9-22)30(38)27(19-28(35)36)32-26(25)18-24/h2-4,7-9,11-13,15,18,20,27,32H,5-6,10,14,16-17,19,21H2,1H3,(H,35,36)