(2S)-2-[3-(4-methoxyphenyl)propanoylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide

Systemtic Name: (2S)-2-[3-(4-methoxyphenyl)propanoylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Openeye Name: (2S)-2-[3-(4-methoxyphenyl)propanoylamino]-4-methylsulfanyl-N-(thiazol-4-ylmethyl)butanamide CAS Name: (2S)-2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-N-(4-thiazolylmethyl)butanamide IUPAC Name: (2S)-2-[3-(4-methoxyphenyl)propanoylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Traditional Name: (2S)-2-[3-(4-methoxyphenyl)propanoylamino]-4-(methylthio)-N-(thiazol-4-ylmethyl)butyramide Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC(CCSC)C(=O)NCC2=CSC=N2

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N[C@@H](CCSC)C(=O)NCC2=CSC=N2

InChI

InChI=1S/C19H25N3O3S2/c1-25-16-6-3-14(4-7-16)5-8-18(23)22-17(9-10-26-2)19(24)20-11-15-12-27-13-21-15/h3-4,6-7,12-13,17H,5,8-11H2,1-2H3,(H,20,24)(H,22,23)/t17-/m0/s1