(2S)-2-azanylbutanedioic acid; 1-phenylpropan-2-amine

Systemtic Name: (2S)-2-azanylbutanedioic acid; 1-phenylpropan-2-amine Openeye Name: (2S)-2-aminobutanedioic acid; 1-phenylpropan-2-amine CAS Name: (2S)-2-aminobutanedioic acid; 1-phenyl-2-propanamine IUPAC Name: (2S)-2-aminobutanedioic acid; 1-phenylpropan-2-amine Traditional Name: (2S)-2-aminosuccinic acid; (1-methyl-2-phenyl-ethyl)amine Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/2C9H13N.C4H7NO4/c2*1-8(10)7-9-5-3-2-4-6-9;5-2(4(8)9)1-3(6)7/h2*2-6,8H,7,10H2,1H3;2H,1,5H2,(H,6,7)(H,8,9)/t;;2-/m..0/s1