(2S)-4-methyl-2-[[3-phenyl-2-(2-sulfanylethylamino)propyl]amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[3-phenyl-2-(2-sulfanylethylamino)propyl]amino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[3-phenyl-2-(2-sulfanylethylamino)propyl]amino]pentanoic acid CAS Name: (2S)-2-[[2-(2-mercaptoethylamino)-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-4-methyl-2-[[3-phenyl-2-(2-sulfanylethylamino)propyl]amino]pentanoic acid Traditional Name: (2S)-2-[[2-(2-mercaptoethylamino)-3-phenyl-propyl]amino]-4-methyl-valeric acid Formula: C17H28N2O2S MolecularWeight: 324.48142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NCC(CC1=CC=CC=C1)NCCS

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NCC(CC1=CC=CC=C1)NCCS

InChI

InChI=1S/C17H28N2O2S/c1-13(2)10-16(17(20)21)19-12-15(18-8-9-22)11-14-6-4-3-5-7-14/h3-7,13,15-16,18-19,22H,8-12H2,1-2H3,(H,20,21)/t15?,16-/m0/s1