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

Systemtic Name: 2-[[5-azanyl-4-(4-ethoxycarbonyl-1,3-thiazol-5-yl)-3-oxidanylidene-1-phenyl-pentan-2-yl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[4-amino-1-benzyl-3-(4-ethoxycarbonylthiazol-5-yl)-2-oxo-butyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[5-amino-4-(4-ethoxycarbonyl-5-thiazolyl)-3-oxo-1-phenylpentan-2-yl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[5-amino-4-(4-ethoxycarbonyl-1,3-thiazol-5-yl)-3-oxo-1-phenylpentan-2-yl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[4-amino-1-benzyl-3-(4-carbethoxythiazol-5-yl)-2-keto-butyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C28H30N4O5S MolecularWeight: 534.6266

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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(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=N1)C(CN)C(=O)C(CC2=CC=CC=C2)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C28H30N4O5S/c1-2-37-28(36)24-26(38-16-31-24)20(14-29)25(33)22(12-17-8-4-3-5-9-17)32-23(27(34)35)13-18-15-30-21-11-7-6-10-19(18)21/h3-11,15-16,20,22-23,30,32H,2,12-14,29H2,1H3,(H,34,35)