(2S)-2-formamido-4-methyl-pentanoic acid; 3-methyl-2-phenyl-butan-1-amine

Systemtic Name: (2S)-2-formamido-4-methyl-pentanoic acid; 3-methyl-2-phenyl-butan-1-amine Openeye Name: (2S)-2-formamido-4-methyl-pentanoic acid; 3-methyl-2-phenyl-butan-1-amine CAS Name: (2S)-2-formamido-4-methylpentanoic acid; 3-methyl-2-phenyl-1-butanamine IUPAC Name: (2S)-2-formamido-4-methylpentanoic acid; 3-methyl-2-phenylbutan-1-amine Traditional Name: (2S)-2-formamido-4-methyl-valeric acid; (3-methyl-2-phenyl-butyl)amine Formula: C18H30N2O3 MolecularWeight: 322.4424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC=O.CC(C)C(CN)C1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC=O.CC(C)C(CN)C1=CC=CC=C1

InChI

InChI=1S/C11H17N.C7H13NO3/c1-9(2)11(8-12)10-6-4-3-5-7-10;1-5(2)3-6(7(10)11)8-4-9/h3-7,9,11H,8,12H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t;6-/m.0/s1