2-[(3S,6S)-3-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-2-oxidanylidene-6-phenyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[(3S,6S)-3-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-2-oxidanylidene-6-phenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[(3S,6S)-3-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-2-oxo-6-phenyl-azepan-1-yl]acetic acid CAS Name: 2-[(3S,6S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-6-phenyl-1-azepanyl]acetic acid IUPAC Name: 2-[(3S,6S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-6-phenylazepan-1-yl]acetic acid Traditional Name: 2-[(3S,6S)-3-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]-2-keto-6-phenyl-azepan-1-yl]acetic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC(CN(C2=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CC[C@H](CN(C2=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5/c1-2-33-26(32)23(15-13-19-9-5-3-6-10-19)27-22-16-14-21(20-11-7-4-8-12-20)17-28(25(22)31)18-24(29)30/h3-12,21-23,27H,2,13-18H2,1H3,(H,29,30)/t21-,22+,23+/m1/s1