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

Systemtic Name: ethyl 2-[[2-(1-azanyl-3-methyl-butyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(1-amino-3-methyl-butyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-amino-3-methylbutyl)-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-amino-3-methylbutyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-amino-3-methyl-butyl)thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid ethyl ester Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S2/c1-4-27-21(26)18(12-28-11-15-8-6-5-7-9-15)23-19(25)17-13-29-20(24-17)16(22)10-14(2)3/h5-9,13-14,16,18H,4,10-12,22H2,1-3H3,(H,23,25)