2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-(phenylmethyl)-1,4-thiazepan-4-yl]propanoic acid

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-(phenylmethyl)-1,4-thiazepan-4-yl]propanoic acid Openeye Name: 2-[3-benzyl-6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-1,4-thiazepan-4-yl]propanoic acid CAS Name: 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-(phenylmethyl)-1,4-thiazepan-4-yl]propanoic acid IUPAC Name: 2-[3-benzyl-6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-1,4-thiazepan-4-yl]propanoic acid Traditional Name: 2-[3-benzyl-6-[(1-carbethoxy-3-phenyl-propyl)amino]-5-keto-1,4-thiazepan-4-yl]propionic acid Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)C(C)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)C(C)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O5S/c1-3-34-27(33)23(15-14-20-10-6-4-7-11-20)28-24-18-35-17-22(16-21-12-8-5-9-13-21)29(25(24)30)19(2)26(31)32/h4-13,19,22-24,28H,3,14-18H2,1-2H3,(H,31,32)