2-[bis[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(1-oxidanidyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]ethyl]amino]-3-phenyl-propanoate

Systemtic Name: 2-[bis[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(1-oxidanidyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]ethyl]amino]-3-phenyl-propanoate Openeye Name: 2-[bis[2-[(1-benzyl-2-oxido-2-oxo-ethyl)-(2-oxido-2-oxo-ethyl)amino]ethyl]amino]-3-phenyl-propanoate CAS Name: 2-[bis[2-[(2-oxido-2-oxoethyl)-(1-oxido-1-oxo-3-phenylpropan-2-yl)amino]ethyl]amino]-3-phenylpropanoate IUPAC Name: 2-[bis[2-[(2-oxido-2-oxoethyl)-(1-oxido-1-oxo-3-phenylpropan-2-yl)amino]ethyl]amino]-3-phenylpropanoate Traditional Name: 2-[bis[2-[(1-benzyl-2-keto-2-oxido-ethyl)-(2-keto-2-oxido-ethyl)amino]ethyl]amino]-3-phenyl-propionate Formula: C35H36N3O10-5 MolecularWeight: 658.67444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])N(CCN(CC(=O)[O-])C(CC2=CC=CC=C2)C(=O)[O-])CCN(CC(=O)[O-])C(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)[O-])N(CCN(CC(=O)[O-])C(CC2=CC=CC=C2)C(=O)[O-])CCN(CC(=O)[O-])C(CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C35H41N3O10/c39-31(40)23-37(29(34(45)46)21-26-12-6-2-7-13-26)18-16-36(28(33(43)44)20-25-10-4-1-5-11-25)17-19-38(24-32(41)42)30(35(47)48)22-27-14-8-3-9-15-27/h1-15,28-30H,16-24H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)/p-5