(2S)-2-[(3-azanyl-4-phenyl-2-sulfanyl-butyl)amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(3-azanyl-4-phenyl-2-sulfanyl-butyl)amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(3-amino-4-phenyl-2-sulfanyl-butyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[(3-amino-2-mercapto-4-phenylbutyl)amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(3-amino-4-phenyl-2-sulfanylbutyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(3-amino-2-mercapto-4-phenyl-butyl)amino]-4-methyl-valeric acid Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NCC(C(CC1=CC=CC=C1)N)S

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2S/c1-11(2)8-14(16(19)20)18-10-15(21)13(17)9-12-6-4-3-5-7-12/h3-7,11,13-15,18,21H,8-10,17H2,1-2H3,(H,19,20)/t13?,14-,15?/m0/s1