2-[[1-[2-(4-ethoxycarbonyl-1,3-thiazol-5-yl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[1-[2-(4-ethoxycarbonyl-1,3-thiazol-5-yl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[1-benzyl-2-[2-(4-ethoxycarbonylthiazol-5-yl)ethylamino]-2-oxo-ethyl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[1-[2-(4-ethoxycarbonyl-5-thiazolyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[1-[2-(4-ethoxycarbonyl-1,3-thiazol-5-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-benzyl-2-[2-(4-carbethoxythiazol-5-yl)ethylamino]-2-keto-ethyl]amino]-4-phenyl-butyric acid Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=N1)CCNC(=O)C(CC2=CC=CC=C2)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=N1)CCNC(=O)C(CC2=CC=CC=C2)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H31N3O5S/c1-2-35-27(34)24-23(36-18-29-24)15-16-28-25(31)22(17-20-11-7-4-8-12-20)30-21(26(32)33)14-13-19-9-5-3-6-10-19/h3-12,18,21-22,30H,2,13-17H2,1H3,(H,28,31)(H,32,33)