2-[[2-[bis(carboxymethyl)amino]-3-phenyl-propyl]-[2-[carboxymethyl-[2-oxidanylidene-2-(undecylamino)ethyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[bis(carboxymethyl)amino]-3-phenyl-propyl]-[2-[carboxymethyl-[2-oxidanylidene-2-(undecylamino)ethyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[[2-[bis(carboxymethyl)amino]-3-phenyl-propyl]-[2-[carboxymethyl-[2-oxo-2-(undecylamino)ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[[2-[bis(carboxymethyl)amino]-3-phenylpropyl]-[2-[carboxymethyl-[2-oxo-2-(undecylamino)ethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-[bis(carboxymethyl)amino]-3-phenylpropyl]-[2-[carboxymethyl-[2-oxo-2-(undecylamino)ethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[[2-[bis(carboxymethyl)amino]-3-phenyl-propyl]-[2-[carboxymethyl-[2-keto-2-(undecylamino)ethyl]amino]ethyl]amino]acetic acid Formula: C32H52N4O9 MolecularWeight: 636.77668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC(=O)CN(CCN(CC(CC1=CC=CC=C1)N(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCNC(=O)CN(CCN(CC(CC1=CC=CC=C1)N(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C32H52N4O9/c1-2-3-4-5-6-7-8-9-13-16-33-28(37)21-35(23-30(40)41)18-17-34(22-29(38)39)20-27(19-26-14-11-10-12-15-26)36(24-31(42)43)25-32(44)45/h10-12,14-15,27H,2-9,13,16-25H2,1H3,(H,33,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)