(2S)-2,5-bis(azanyl)-6-oxidanylidene-6-[(phenylmethyl)amino]hexanoic acid

Systemtic Name: (2S)-2,5-bis(azanyl)-6-oxidanylidene-6-[(phenylmethyl)amino]hexanoic acid Openeye Name: (2S)-2,5-diamino-6-(benzylamino)-6-oxo-hexanoic acid CAS Name: (2S)-2,5-diamino-6-oxo-6-[(phenylmethyl)amino]hexanoic acid IUPAC Name: (2S)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid Traditional Name: (2S)-2,5-diamino-6-(benzylamino)-6-keto-hexanoic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3/c14-10(6-7-11(15)13(18)19)12(17)16-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,14-15H2,(H,16,17)(H,18,19)/t10?,11-/m0/s1