(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-N-(1-oxidanyl-3-phenyl-propan-2-yl)pentanamide

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-N-(1-oxidanyl-3-phenyl-propan-2-yl)pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-(1-benzyl-2-hydroxy-ethyl)-3-methyl-pentanamide CAS Name: (2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpentanamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-(1-benzyl-2-hydroxy-ethyl)-3-methyl-valeramide Formula: C18H31N3O2S MolecularWeight: 353.52264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)CO)NCC(CS)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)NC(CC1=CC=CC=C1)CO)NC[C@H](CS)N

InChI

InChI=1S/C18H31N3O2S/c1-3-13(2)17(20-10-15(19)12-24)18(23)21-16(11-22)9-14-7-5-4-6-8-14/h4-8,13,15-17,20,22,24H,3,9-12,19H2,1-2H3,(H,21,23)/t13?,15-,16?,17+/m1/s1