(2S,3S)-2-(aminocarbonylamino)-3-methyl-N-(3-methylsulfanylphenyl)pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-3-methyl-N-(3-methylsulfanylphenyl)pentanamide Openeye Name: (2S,3S)-3-methyl-N-(3-methylsulfanylphenyl)-2-ureido-pentanamide CAS Name: (2S,3S)-2-(carbamoylamino)-3-methyl-N-[3-(methylthio)phenyl]pentanamide IUPAC Name: (2S,3S)-2-(carbamoylamino)-3-methyl-N-(3-methylsulfanylphenyl)pentanamide Traditional Name: (2S,3S)-3-methyl-N-[3-(methylthio)phenyl]-2-ureido-valeramide Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC(=CC=C1)SC)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC(=CC=C1)SC)NC(=O)N

InChI

InChI=1S/C14H21N3O2S/c1-4-9(2)12(17-14(15)19)13(18)16-10-6-5-7-11(8-10)20-3/h5-9,12H,4H2,1-3H3,(H,16,18)(H3,15,17,19)/t9-,12-/m0/s1