(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide Openeye Name: (2S)-4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide IUPAC Name: (2S)-2-(carbamoylamino)-4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide Traditional Name: (2S)-4-(methylthio)-N-(3,4,5-trimethoxybenzyl)-2-ureido-butyramide Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C16H25N3O5S/c1-22-12-7-10(8-13(23-2)14(12)24-3)9-18-15(20)11(5-6-25-4)19-16(17)21/h7-8,11H,5-6,9H2,1-4H3,(H,18,20)(H3,17,19,21)/t11-/m0/s1