(3S)-3-[[[(2R)-2-azanyl-4-phenyl-butanoyl]amino]methyl]-5-methyl-hexanoic acid

Systemtic Name: (3S)-3-[[[(2R)-2-azanyl-4-phenyl-butanoyl]amino]methyl]-5-methyl-hexanoic acid Openeye Name: (3S)-3-[[[(2R)-2-amino-4-phenyl-butanoyl]amino]methyl]-5-methyl-hexanoic acid CAS Name: (3S)-3-[[[(2R)-2-amino-1-oxo-4-phenylbutyl]amino]methyl]-5-methylhexanoic acid IUPAC Name: (3S)-3-[[[(2R)-2-amino-4-phenylbutanoyl]amino]methyl]-5-methylhexanoic acid Traditional Name: (3S)-3-[[[(2R)-2-amino-4-phenyl-butanoyl]amino]methyl]-5-methyl-hexanoic acid Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CNC(=O)C(CCC1=CC=CC=C1)N

Isomeric SMILES

CC(C)C[C@@H](CC(=O)O)CNC(=O)[C@@H](CCC1=CC=CC=C1)N

InChI

InChI=1S/C18H28N2O3/c1-13(2)10-15(11-17(21)22)12-20-18(23)16(19)9-8-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,19H2,1-2H3,(H,20,23)(H,21,22)/t15-,16+/m0/s1