2-[4-[[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-sulfanyl-hexanoyl]amino]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-sulfanyl-hexanoyl]amino]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]-3-phenyl-propanoic acid Openeye Name: 2-[4-[[6-(1,3-dioxoisoindolin-2-yl)-2-sulfanyl-hexanoyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-3-phenyl-propanoic acid CAS Name: 2-[4-[[6-(1,3-dioxo-2-isoindolyl)-2-mercapto-1-oxohexyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-3-phenylpropanoic acid IUPAC Name: 2-[4-[[6-(1,3-dioxoisoindol-2-yl)-2-sulfanylhexanoyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-3-phenylpropanoic acid Traditional Name: 2-[3-keto-4-[(2-mercapto-6-phthalimido-hexanoyl)amino]-4,5-dihydro-1H-2-benzazepin-2-yl]-3-phenyl-propionic acid Formula: C33H33N3O6S MolecularWeight: 599.69662

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=CC=CC=C21)C(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CCCCN4C(=O)C5=CC=CC=C5C4=O)S

Isomeric SMILES

C1C(C(=O)N(CC2=CC=CC=C21)C(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CCCCN4C(=O)C5=CC=CC=C5C4=O)S

InChI

InChI=1S/C33H33N3O6S/c37-29(28(43)16-8-9-17-35-30(38)24-14-6-7-15-25(24)31(35)39)34-26-19-22-12-4-5-13-23(22)20-36(32(26)40)27(33(41)42)18-21-10-2-1-3-11-21/h1-7,10-15,26-28,43H,8-9,16-20H2,(H,34,37)(H,41,42)