(2S)-2-(aminocarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-N-homoveratryl-4-(methylthio)-2-ureido-butyramide Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(CCSC)NC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)[C@H](CCSC)NC(=O)N)OC

InChI

InChI=1S/C16H25N3O4S/c1-22-13-5-4-11(10-14(13)23-2)6-8-18-15(20)12(7-9-24-3)19-16(17)21/h4-5,10,12H,6-9H2,1-3H3,(H,18,20)(H3,17,19,21)/t12-/m0/s1