2-[3-[[1-ethoxy-1-oxidanylidene-3-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)ethylsulfanyl]propan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[1-ethoxy-1-oxidanylidene-3-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)ethylsulfanyl]propan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[[1-[2-(1-benzyloxycarbonyl-4-piperidyl)ethylsulfanylmethyl]-2-ethoxy-2-oxo-ethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[1-ethoxy-1-oxo-3-[2-(1-phenylmethoxycarbonyl-4-piperidinyl)ethylthio]propan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[[1-ethoxy-1-oxo-3-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)ethylsulfanyl]propan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[[1-[[2-(1-carbobenzoxy-4-piperidyl)ethylthio]methyl]-2-ethoxy-2-keto-ethyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C32H41N3O7S MolecularWeight: 611.74884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC3CCC4=CC=CC=C4N(C3=O)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CSCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC3CCC4=CC=CC=C4N(C3=O)CC(=O)O

InChI

InChI=1S/C32H41N3O7S/c1-2-41-31(39)27(33-26-13-12-25-10-6-7-11-28(25)35(30(26)38)20-29(36)37)22-43-19-16-23-14-17-34(18-15-23)32(40)42-21-24-8-4-3-5-9-24/h3-11,23,26-27,33H,2,12-22H2,1H3,(H,36,37)