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

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N,3-dimethyl-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-benzyl-N,3-dimethyl-pentanamide CAS Name: (2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-N,3-dimethyl-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-benzyl-N,3-dimethylpentanamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-benzyl-N,3-dimethyl-valeramide Formula: C17H29N3OS MolecularWeight: 323.49666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3OS/c1-4-13(2)16(19-10-15(18)12-22)17(21)20(3)11-14-8-6-5-7-9-14/h5-9,13,15-16,19,22H,4,10-12,18H2,1-3H3/t13?,15-,16+/m1/s1