(2S,3S)-2-(aminocarbonylamino)-3-methyl-N-[2-(phenylmethylsulfanyl)ethyl]pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-3-methyl-N-[2-(phenylmethylsulfanyl)ethyl]pentanamide Openeye Name: (2S,3S)-N-(2-benzylsulfanylethyl)-3-methyl-2-ureido-pentanamide CAS Name: (2S,3S)-2-(carbamoylamino)-3-methyl-N-[2-(phenylmethylthio)ethyl]pentanamide IUPAC Name: (2S,3S)-N-(2-benzylsulfanylethyl)-2-(carbamoylamino)-3-methylpentanamide Traditional Name: (2S,3S)-N-[2-(benzylthio)ethyl]-3-methyl-2-ureido-valeramide Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCSCC1=CC=CC=C1)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCCSCC1=CC=CC=C1)NC(=O)N

InChI

InChI=1S/C16H25N3O2S/c1-3-12(2)14(19-16(17)21)15(20)18-9-10-22-11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,20)(H3,17,19,21)/t12-,14-/m0/s1