methyl 2-[[2-(1-azanyl-2-phenyl-ethyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[[2-(1-azanyl-2-phenyl-ethyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-(1-amino-2-phenyl-ethyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-amino-2-phenylethyl)-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-amino-2-phenyl-ethyl)thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C23H25N3O3S2/c1-29-23(28)20(14-30-13-17-10-6-3-7-11-17)25-21(27)19-15-31-22(26-19)18(24)12-16-8-4-2-5-9-16/h2-11,15,18,20H,12-14,24H2,1H3,(H,25,27)