2-[2,5-bis(azanyl)pentanoylamino]-6-(4-methylphenyl)hexanoic acid

Systemtic Name: 2-[2,5-bis(azanyl)pentanoylamino]-6-(4-methylphenyl)hexanoic acid Openeye Name: 2-(2,5-diaminopentanoylamino)-6-(p-tolyl)hexanoic acid CAS Name: 2-[(2,5-diamino-1-oxopentyl)amino]-6-(4-methylphenyl)hexanoic acid IUPAC Name: 2-(2,5-diaminopentanoylamino)-6-(4-methylphenyl)hexanoic acid Traditional Name: 2-(2,5-diaminopentanoylamino)-6-(p-tolyl)hexanoic acid Formula: C18H29N3O3 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCCC(C(=O)O)NC(=O)C(CCCN)N

Isomeric SMILES

CC1=CC=C(C=C1)CCCCC(C(=O)O)NC(=O)C(CCCN)N

InChI

InChI=1S/C18H29N3O3/c1-13-8-10-14(11-9-13)5-2-3-7-16(18(23)24)21-17(22)15(20)6-4-12-19/h8-11,15-16H,2-7,12,19-20H2,1H3,(H,21,22)(H,23,24)