2-[bis[2-[carboxymethyl-(1-oxidanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl)amino]ethyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[bis[2-[carboxymethyl-(1-oxidanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl)amino]ethyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[bis[2-[[1-(benzyloxymethyl)-2-hydroxy-2-oxo-ethyl]-(carboxymethyl)amino]ethyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[bis[2-[carboxymethyl-(1-hydroxy-1-oxo-3-phenylmethoxypropan-2-yl)amino]ethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[bis[2-[carboxymethyl-(1-hydroxy-1-oxo-3-phenylmethoxypropan-2-yl)amino]ethyl]amino]-3-methylpentanoic acid Traditional Name: 2-[bis[2-[[1-(benzoxymethyl)-2-hydroxy-2-keto-ethyl]-(carboxymethyl)amino]ethyl]amino]-3-methyl-valeric acid Formula: C34H47N3O12 MolecularWeight: 689.74988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N(CCN(CC(=O)O)C(COCC1=CC=CC=C1)C(=O)O)CCN(CC(=O)O)C(COCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(C)C(C(=O)O)N(CCN(CC(=O)O)C(COCC1=CC=CC=C1)C(=O)O)CCN(CC(=O)O)C(COCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C34H47N3O12/c1-3-24(2)31(34(46)47)35(14-16-36(18-29(38)39)27(32(42)43)22-48-20-25-10-6-4-7-11-25)15-17-37(19-30(40)41)28(33(44)45)23-49-21-26-12-8-5-9-13-26/h4-13,24,27-28,31H,3,14-23H2,1-2H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)