2-[bis(carboxymethyl)amino]-6-[(2-methyl-5-prop-1-ynyl-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 2-[bis(carboxymethyl)amino]-6-[(2-methyl-5-prop-1-ynyl-phenyl)carbonylamino]hexanoic acid Openeye Name: 2-[bis(carboxymethyl)amino]-6-[(2-methyl-5-prop-1-ynyl-benzoyl)amino]hexanoic acid CAS Name: 2-[bis(carboxymethyl)amino]-6-[[(2-methyl-5-prop-1-ynylphenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[bis(carboxymethyl)amino]-6-[(2-methyl-5-prop-1-ynylbenzoyl)amino]hexanoic acid Traditional Name: 2-[bis(carboxymethyl)amino]-6-[(2-methyl-5-prop-1-ynyl-benzoyl)amino]hexanoic acid Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=C(C=C1)C)C(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CC#CC1=CC(=C(C=C1)C)C(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C21H26N2O7/c1-3-6-15-9-8-14(2)16(11-15)20(28)22-10-5-4-7-17(21(29)30)23(12-18(24)25)13-19(26)27/h8-9,11,17H,4-5,7,10,12-13H2,1-2H3,(H,22,28)(H,24,25)(H,26,27)(H,29,30)