5-[1-azanyl-4-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3-oxidanylidene-5-phenyl-pentan-2-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 5-[1-azanyl-4-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3-oxidanylidene-5-phenyl-pentan-2-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 5-[1-(aminomethyl)-3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-oxo-4-phenyl-butyl]thiazole-4-carboxylic acid CAS Name: 5-[1-amino-4-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-3-oxo-5-phenylpentan-2-yl]-4-thiazolecarboxylic acid IUPAC Name: 5-[1-amino-4-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-3-oxo-5-phenylpentan-2-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 5-[1-(aminomethyl)-3-[(1-carbethoxy-3-phenyl-propyl)amino]-2-keto-4-phenyl-butyl]thiazole-4-carboxylic acid Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(CC2=CC=CC=C2)C(=O)C(CN)C3=C(N=CS3)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(CC2=CC=CC=C2)C(=O)C(CN)C3=C(N=CS3)C(=O)O

InChI

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