ethanoic acid; methyl 2-(2-acetamidoethanoylamino)-6-azanyl-hexanoate

Systemtic Name: ethanoic acid; methyl 2-(2-acetamidoethanoylamino)-6-azanyl-hexanoate Openeye Name: acetic acid; methyl 2-[(2-acetamidoacetyl)amino]-6-amino-hexanoate CAS Name: 2-[(2-acetamido-1-oxoethyl)amino]-6-aminohexanoic acid methyl ester; acetic acid IUPAC Name: acetic acid; methyl 2-[(2-acetamidoacetyl)amino]-6-aminohexanoate Traditional Name: 2-[(2-acetamidoacetyl)amino]-6-amino-hexanoic acid methyl ester; acetic acid Formula: C13H25N3O6 MolecularWeight: 319.3541

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC(CCCCN)C(=O)OC.CC(=O)O

Isomeric SMILES

CC(=O)NCC(=O)NC(CCCCN)C(=O)OC.CC(=O)O

InChI

InChI=1S/C11H21N3O4.C2H4O2/c1-8(15)13-7-10(16)14-9(11(17)18-2)5-3-4-6-12;1-2(3)4/h9H,3-7,12H2,1-2H3,(H,13,15)(H,14,16);1H3,(H,3,4)