4,5-bis(azanyl)-5-oxidanylidene-pentanoic acid; (phenylmethyl) 2-azanylpropanoate

Systemtic Name: 4,5-bis(azanyl)-5-oxidanylidene-pentanoic acid; (phenylmethyl) 2-azanylpropanoate Openeye Name: benzyl 2-aminopropanoate; 4,5-diamino-5-oxo-pentanoic acid CAS Name: 2-aminopropanoic acid (phenylmethyl) ester; 4,5-diamino-5-oxopentanoic acid IUPAC Name: benzyl 2-aminopropanoate; 4,5-diamino-5-oxopentanoic acid Traditional Name: 2-aminopropionic acid benzyl ester; 4,5-diamino-5-keto-valeric acid Formula: C15H23N3O5 MolecularWeight: 325.36022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N.C(CC(=O)O)C(C(=O)N)N

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N.C(CC(=O)O)C(C(=O)N)N

InChI

InChI=1S/C10H13NO2.C5H10N2O3/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;6-3(5(7)10)1-2-4(8)9/h2-6,8H,7,11H2,1H3;3H,1-2,6H2,(H2,7,10)(H,8,9)