(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-methyl-N-phenethyl-pentanamide

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-methyl-N-phenethyl-pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-3-methyl-N-phenethyl-pentanamide CAS Name: (2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-3-methyl-N-phenethylpentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-methyl-N-phenethylpentanamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-3-methyl-N-phenethyl-valeramide Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CS)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)NCCC1=CC=CC=C1)NC(=O)[C@H](CS)N

InChI

InChI=1S/C17H27N3O2S/c1-3-12(2)15(20-16(21)14(18)11-23)17(22)19-10-9-13-7-5-4-6-8-13/h4-8,12,14-15,23H,3,9-11,18H2,1-2H3,(H,19,22)(H,20,21)/t12?,14-,15-/m0/s1