(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-N-(phenylmethyl)pentanamide

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-benzyl-3-methyl-pentanamide CAS Name: (2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-3-methyl-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-benzyl-3-methylpentanamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-benzyl-3-methyl-valeramide Formula: C16H27N3OS MolecularWeight: 309.47008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=CC=C1)NCC(CS)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)NCC1=CC=CC=C1)NC[C@H](CS)N

InChI

InChI=1S/C16H27N3OS/c1-3-12(2)15(18-10-14(17)11-21)16(20)19-9-13-7-5-4-6-8-13/h4-8,12,14-15,18,21H,3,9-11,17H2,1-2H3,(H,19,20)/t12?,14-,15+/m1/s1