(2S)-2-[1-[[(3S)-1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]-4-phenyl-butanoic acid

Systemtic Name: (2S)-2-[1-[[(3S)-1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]-4-phenyl-butanoic acid Openeye Name: (2S)-2-[1-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]-4-phenyl-butanoic acid CAS Name: (2S)-2-[1-[[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-oxomethyl]cyclopentyl]-4-phenylbutanoic acid IUPAC Name: (2S)-2-[1-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]-4-phenylbutanoic acid Traditional Name: (2S)-2-[1-[[(3S)-1-(carboxymethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]-4-phenyl-butyric acid Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(CCC2=CC=CC=C2)C(=O)O)C(=O)NC3CCC4=CC=CC=C4N(C3=O)CC(=O)O

Isomeric SMILES

C1CCC(C1)([C@H](CCC2=CC=CC=C2)C(=O)O)C(=O)N[C@H]3CCC4=CC=CC=C4N(C3=O)CC(=O)O

InChI

InChI=1S/C28H32N2O6/c31-24(32)18-30-23-11-5-4-10-20(23)13-15-22(25(30)33)29-27(36)28(16-6-7-17-28)21(26(34)35)14-12-19-8-2-1-3-9-19/h1-5,8-11,21-22H,6-7,12-18H2,(H,29,36)(H,31,32)(H,34,35)/t21-,22+/m1/s1