2-[bis[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(1-oxidanidyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]ethyl]amino]-4-phenyl-butanoate

Systemtic Name: 2-[bis[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(1-oxidanidyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]ethyl]amino]-4-phenyl-butanoate Openeye Name: 2-[bis[2-[(1-carboxylato-3-phenyl-propyl)-(2-oxido-2-oxo-ethyl)amino]ethyl]amino]-4-phenyl-butanoate CAS Name: 2-[bis[2-[(2-oxido-2-oxoethyl)-(1-oxido-1-oxo-4-phenylbutan-2-yl)amino]ethyl]amino]-4-phenylbutanoate IUPAC Name: 2-[bis[2-[(2-oxido-2-oxoethyl)-(1-oxido-1-oxo-4-phenylbutan-2-yl)amino]ethyl]amino]-4-phenylbutanoate Traditional Name: 2-[bis[2-[(1-carboxylato-3-phenyl-propyl)-(2-keto-2-oxido-ethyl)amino]ethyl]amino]-4-phenyl-butyrate Formula: C38H42N3O10-5 MolecularWeight: 700.75418

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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)/p-5