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

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]-3-phenyl-propyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-(benzylamino)-2-oxo-ethyl]-(carboxymethyl)amino]-3-phenyl-propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]amino]-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-(benzylamino)-2-oxoethyl]-(carboxymethyl)amino]-3-phenylpropyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid Traditional Name: 2-[[2-[[2-(benzylamino)-2-keto-ethyl]-(carboxymethyl)amino]-3-phenyl-propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid Formula: C28H36N4O9 MolecularWeight: 572.60684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)NCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)NCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C28H36N4O9/c33-24(29-14-22-9-5-2-6-10-22)16-32(20-28(40)41)23(13-21-7-3-1-4-8-21)15-30(17-25(34)35)11-12-31(18-26(36)37)19-27(38)39/h1-10,23H,11-20H2,(H,29,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)