(2S,3S)-3-phenylbutan-2-amine; (3S)-3-phenylbutan-2-amine; propanedioic acid

Systemtic Name: (2S,3S)-3-phenylbutan-2-amine; (3S)-3-phenylbutan-2-amine; propanedioic acid Openeye Name: malonic acid; (2S,3S)-3-phenylbutan-2-amine; (3S)-3-phenylbutan-2-amine CAS Name: (2S,3S)-3-phenyl-2-butanamine; (3S)-3-phenyl-2-butanamine; propanedioic acid IUPAC Name: (2S,3S)-3-phenylbutan-2-amine; (3S)-3-phenylbutan-2-amine; propanedioic acid Traditional Name: malonic acid; [(1S,2S)-1-methyl-2-phenyl-propyl]amine; [(2S)-1-methyl-2-phenyl-propyl]amine Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C)N.CC(C1=CC=CC=C1)C(C)N.C(C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/2C10H15N.C3H4O4/c2*1-8(9(2)11)10-6-4-3-5-7-10;4-2(5)1-3(6)7/h2*3-9H,11H2,1-2H3;1H2,(H,4,5)(H,6,7)/t8-,9?;8-,9+;/m11./s1