2-[bis[2-[carboxymethyl-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]ethyl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[bis[2-[carboxymethyl-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]ethyl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[bis[2-[carboxymethyl-(1-carboxy-3-phenyl-propyl)amino]ethyl]amino]-4-phenyl-butanoic acid CAS Name: 2-[bis[2-[carboxymethyl-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]ethyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[bis[2-[carboxymethyl-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]ethyl]amino]-4-phenylbutanoic acid Traditional Name: 2-[bis[2-[carboxymethyl-(1-carboxy-3-phenyl-propyl)amino]ethyl]amino]-4-phenyl-butyric acid Formula: C38H47N3O10 MolecularWeight: 705.79388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)N(CCN(CC(=O)O)C(CCC2=CC=CC=C2)C(=O)O)CCN(CC(=O)O)C(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)N(CCN(CC(=O)O)C(CCC2=CC=CC=C2)C(=O)O)CCN(CC(=O)O)C(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C38H47N3O10/c42-34(43)26-40(32(37(48)49)20-17-29-12-6-2-7-13-29)24-22-39(31(36(46)47)19-16-28-10-4-1-5-11-28)23-25-41(27-35(44)45)33(38(50)51)21-18-30-14-8-3-9-15-30/h1-15,31-33H,16-27H2,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)