2-[bis[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(1-oxidanidyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl)amino]ethyl]amino]-3-methyl-pentanoate

Systemtic Name: 2-[bis[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(1-oxidanidyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl)amino]ethyl]amino]-3-methyl-pentanoate Openeye Name: 2-[bis[2-[[1-(benzyloxymethyl)-2-oxido-2-oxo-ethyl]-(2-oxido-2-oxo-ethyl)amino]ethyl]amino]-3-methyl-pentanoate CAS Name: 2-[bis[2-[(2-oxido-2-oxoethyl)-(1-oxido-1-oxo-3-phenylmethoxypropan-2-yl)amino]ethyl]amino]-3-methylpentanoate IUPAC Name: 2-[bis[2-[(2-oxido-2-oxoethyl)-(1-oxido-1-oxo-3-phenylmethoxypropan-2-yl)amino]ethyl]amino]-3-methylpentanoate Traditional Name: 2-[bis[2-[[1-(benzoxymethyl)-2-keto-2-oxido-ethyl]-(2-keto-2-oxido-ethyl)amino]ethyl]amino]-3-methyl-valerate Formula: C34H42N3O12-5 MolecularWeight: 684.71018

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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)/p-5