2-[[2-[2-[[3-azido-6-[bis(carboxymethyl)amino]-2-[4-[2-[[5-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-5-oxidanylidene-pentanoyl]amino]ethyl]phenyl]carbonyl-1-benzofuran-5-yl]oxy]ethoxy]-4-methyl-phenyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[[3-azido-6-[bis(carboxymethyl)amino]-2-[4-[2-[[5-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-5-oxidanylidene-pentanoyl]amino]ethyl]phenyl]carbonyl-1-benzofuran-5-yl]oxy]ethoxy]-4-methyl-phenyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[2-[2-[3-azido-6-[bis(carboxymethyl)amino]-2-[4-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo-pentanoyl]amino]ethyl]benzoyl]benzofuran-5-yl]oxyethoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid CAS Name: 2-[2-[2-[[3-azido-6-[bis(carboxymethyl)amino]-2-[[4-[2-[[5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1,5-dioxopentyl]amino]ethyl]phenyl]-oxomethyl]-5-benzofuranyl]oxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid IUPAC Name: 2-[2-[2-[[3-azido-6-[bis(carboxymethyl)amino]-2-[4-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethyl]benzoyl]-1-benzofuran-5-yl]oxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid Traditional Name: 2-[2-[2-[3-azido-6-[bis(carboxymethyl)amino]-2-[4-[2-[(5-keto-5-succinimidooxy-pentanoyl)amino]ethyl]benzoyl]benzofuran-5-yl]oxyethoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid Formula: C43H43N7O17 MolecularWeight: 929.83822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=C3C(=C2)C(=C(O3)C(=O)C4=CC=C(C=C4)CCNC(=O)CCCC(=O)ON5C(=O)CCC5=O)N=[N+]=[N-])N(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=C3C(=C2)C(=C(O3)C(=O)C4=CC=C(C=C4)CCNC(=O)CCCC(=O)ON5C(=O)CCC5=O)N=[N+]=[N-])N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C43H43N7O17/c1-24-5-10-28(48(20-36(54)55)21-37(56)57)31(17-24)64-15-16-65-32-18-27-30(19-29(32)49(22-38(58)59)23-39(60)61)66-43(41(27)46-47-44)42(63)26-8-6-25(7-9-26)13-14-45-33(51)3-2-4-40(62)67-50-34(52)11-12-35(50)53/h5-10,17-19H,2-4,11-16,20-23H2,1H3,(H,45,51)(H,54,55)(H,56,57)(H,58,59)(H,60,61)