2-[carboxymethyl-[2-[carboxymethyl-(1-oxidanyl-1-oxidanylidene-3-phenethyloxy-propan-2-yl)amino]ethyl]amino]-3-phenethyloxy-propanoic acid

Systemtic Name: 2-[carboxymethyl-[2-[carboxymethyl-(1-oxidanyl-1-oxidanylidene-3-phenethyloxy-propan-2-yl)amino]ethyl]amino]-3-phenethyloxy-propanoic acid Openeye Name: 2-[carboxymethyl-[2-[carboxymethyl-[2-hydroxy-2-oxo-1-(phenethyloxymethyl)ethyl]amino]ethyl]amino]-3-phenethyloxy-propanoic acid CAS Name: 2-[carboxymethyl-[2-[carboxymethyl-(1-hydroxy-1-oxo-3-phenethyloxypropan-2-yl)amino]ethyl]amino]-3-phenethyloxypropanoic acid IUPAC Name: 2-[carboxymethyl-[2-[carboxymethyl-(1-hydroxy-1-oxo-3-phenethyloxypropan-2-yl)amino]ethyl]amino]-3-phenethyloxypropanoic acid Traditional Name: 2-[carboxymethyl-[2-[carboxymethyl-[2-hydroxy-2-keto-1-(phenethyloxymethyl)ethyl]amino]ethyl]amino]-3-phenethyloxy-propionic acid Formula: C28H36N2O10 MolecularWeight: 560.59284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCC(C(=O)O)N(CCN(CC(=O)O)C(COCCC2=CC=CC=C2)C(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOCC(C(=O)O)N(CCN(CC(=O)O)C(COCCC2=CC=CC=C2)C(=O)O)CC(=O)O

InChI

InChI=1S/C28H36N2O10/c31-25(32)17-29(23(27(35)36)19-39-15-11-21-7-3-1-4-8-21)13-14-30(18-26(33)34)24(28(37)38)20-40-16-12-22-9-5-2-6-10-22/h1-10,23-24H,11-20H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)