2-[8-[methyl-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[methyl-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[methyl-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[methyl-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]amino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[methyl-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-8-[methyl-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]carbamoyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=CC1)CCN(C)C(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

CN1CCC(=CC1)CCN(C)C(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C29H36N4O4/c1-31-14-10-22(11-15-31)12-16-32(2)28(36)23-8-9-24-20-33(17-13-21-6-4-3-5-7-21)29(37)26(19-27(34)35)30-25(24)18-23/h3-10,18,26,30H,11-17,19-20H2,1-2H3,(H,34,35)