2-[8-[4-(2-azanylethyl)piperidin-1-yl]carbonyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[4-(2-azanylethyl)piperidin-1-yl]carbonyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[4-(2-aminoethyl)piperidine-1-carbonyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[4-(2-aminoethyl)-1-piperidinyl]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[4-(2-aminoethyl)piperidine-1-carbonyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-[4-(2-aminoethyl)piperidine-1-carbonyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCN)C(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

C1CN(CCC1CCN)C(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C27H34N4O4/c28-12-8-20-9-13-30(14-10-20)26(34)21-6-7-22-18-31(15-11-19-4-2-1-3-5-19)27(35)24(17-25(32)33)29-23(22)16-21/h1-7,16,20,24,29H,8-15,17-18,28H2,(H,32,33)