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

Systemtic Name: methyl 2-[[2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-(1-amino-3-methylsulfanyl-propyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-[1-amino-3-(methylthio)propyl]-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-[1-amino-3-(methylthio)propyl]thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C19H25N3O3S3 MolecularWeight: 439.6151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S3/c1-25-19(24)16(11-27-10-13-6-4-3-5-7-13)21-17(23)15-12-28-18(22-15)14(20)8-9-26-2/h3-7,12,14,16H,8-11,20H2,1-2H3,(H,21,23)