2,6-bis(azanyl)-2-methyl-hexanoic acid; 2-[(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2,6-bis(azanyl)-2-methyl-hexanoic acid; 2-[(phenylmethyl)amino]ethanoic acid Openeye Name: 2-(benzylamino)acetic acid; 2,6-diamino-2-methyl-hexanoic acid CAS Name: 2,6-diamino-2-methylhexanoic acid; 2-[(phenylmethyl)amino]acetic acid IUPAC Name: 2-(benzylamino)acetic acid; 2,6-diamino-2-methylhexanoic acid Traditional Name: 2-(benzylamino)acetic acid; 2,6-diamino-2-methyl-hexanoic acid Formula: C16H27N3O4 MolecularWeight: 325.40328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.C7H16N2O2/c11-9(12)7-10-6-8-4-2-1-3-5-8;1-7(9,6(10)11)4-2-3-5-8/h1-5,10H,6-7H2,(H,11,12);2-5,8-9H2,1H3,(H,10,11)