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

Systemtic Name: 2-[[5-azanyl-4-(4-ethoxycarbonyl-1,3-thiazol-5-yl)-3-oxidanylidene-1-phenyl-pentan-2-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[4-amino-1-benzyl-3-(4-ethoxycarbonylthiazol-5-yl)-2-oxo-butyl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[5-amino-4-(4-ethoxycarbonyl-5-thiazolyl)-3-oxo-1-phenylpentan-2-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[5-amino-4-(4-ethoxycarbonyl-1,3-thiazol-5-yl)-3-oxo-1-phenylpentan-2-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[4-amino-1-benzyl-3-(4-carbethoxythiazol-5-yl)-2-keto-butyl]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)C(CN)C(=O)C(CC2=CC=CC=C2)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

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