(phenylmethyl) (2S)-2-[(2,5-diphenyl-1,3-thiazol-4-yl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2,5-diphenyl-1,3-thiazol-4-yl)carbonylamino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[(2,5-diphenylthiazole-4-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,5-diphenyl-4-thiazolyl)-oxomethyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2,5-diphenyl-1,3-thiazole-4-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,5-diphenylthiazole-4-carbonyl)amino]-3-methyl-butyric acid benzyl ester Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(SC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(SC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O3S/c1-19(2)23(28(32)33-18-20-12-6-3-7-13-20)29-26(31)24-25(21-14-8-4-9-15-21)34-27(30-24)22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,29,31)/t23-/m0/s1