2-[2-[4,7-bis[2-(carboxymethylamino)-2-oxidanylidene-ethyl]-10-[2-(9-oxidanylideneacridin-10-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[4,7-bis[2-(carboxymethylamino)-2-oxidanylidene-ethyl]-10-[2-(9-oxidanylideneacridin-10-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[4,7-bis[2-(carboxymethylamino)-2-oxo-ethyl]-10-[2-(9-oxoacridin-10-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetic acid CAS Name: 2-[[2-[4,7-bis[2-(carboxymethylamino)-2-oxoethyl]-10-[2-(9-oxo-10-acridinyl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[4,7-bis[2-(carboxymethylamino)-2-oxoethyl]-10-[2-(9-oxoacridin-10-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetic acid Traditional Name: 2-[[2-[4,7-bis[2-(carboxymethylamino)-2-keto-ethyl]-10-[2-(9-ketoacridin-10-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetic acid Formula: C35H46N8O10 MolecularWeight: 738.78734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CCN2C3=CC=CC=C3C(=O)C4=CC=CC=C42)CC(=O)NCC(=O)O)CC(=O)NCC(=O)O)CC(=O)NCC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CCN2C3=CC=CC=C3C(=O)C4=CC=CC=C42)CC(=O)NCC(=O)O)CC(=O)NCC(=O)O)CC(=O)NCC(=O)O

InChI

InChI=1S/C35H46N8O10/c44-29(36-19-32(47)48)22-40-11-9-39(17-18-43-27-7-3-1-5-25(27)35(53)26-6-2-4-8-28(26)43)10-12-41(23-30(45)37-20-33(49)50)14-16-42(15-13-40)24-31(46)38-21-34(51)52/h1-8H,9-24H2,(H,36,44)(H,37,45)(H,38,46)(H,47,48)(H,49,50)(H,51,52)