2-[2-[bis[2-[8-methoxycarbonyloxy-2,4-bis(oxidanylidene)-1,3-benzoxazin-3-yl]ethyl]amino]ethyl-[2,3-bis(methoxycarbonyloxy)phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[2-[bis[2-[8-methoxycarbonyloxy-2,4-bis(oxidanylidene)-1,3-benzoxazin-3-yl]ethyl]amino]ethyl-[2,3-bis(methoxycarbonyloxy)phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[[2,3-bis(methoxycarbonyloxy)benzoyl]-[2-[bis[2-(8-methoxycarbonyloxy-2,4-dioxo-1,3-benzoxazin-3-yl)ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[2-[bis[2-(8-methoxycarbonyloxy-2,4-dioxo-1,3-benzoxazin-3-yl)ethyl]amino]ethyl-[[2,3-bis(methoxycarbonyloxy)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2,3-bis(methoxycarbonyloxy)benzoyl]-[2-[bis[2-(8-methoxycarbonyloxy-2,4-dioxo-1,3-benzoxazin-3-yl)ethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[2-[bis[2-(8-carbomethoxyoxy-2,4-diketo-1,3-benzoxazin-3-yl)ethyl]amino]ethyl-(2,3-dicarbomethoxyoxybenzoyl)amino]acetic acid Formula: C39H36N4O21 MolecularWeight: 896.71734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=CC=CC2=C1OC(=O)N(C2=O)CCN(CCN3C(=O)C4=C(C(=CC=C4)OC(=O)OC)OC3=O)CCN(CC(=O)O)C(=O)C5=C(C(=CC=C5)OC(=O)OC)OC(=O)OC

Isomeric SMILES

COC(=O)OC1=CC=CC2=C1OC(=O)N(C2=O)CCN(CCN3C(=O)C4=C(C(=CC=C4)OC(=O)OC)OC3=O)CCN(CC(=O)O)C(=O)C5=C(C(=CC=C5)OC(=O)OC)OC(=O)OC

InChI

InChI=1S/C39H36N4O21/c1-55-36(51)59-24-11-6-9-22-28(24)62-34(49)42(32(22)47)18-15-40(16-19-43-33(48)23-10-7-12-25(60-37(52)56-2)29(23)63-35(43)50)14-17-41(20-27(44)45)31(46)21-8-5-13-26(61-38(53)57-3)30(21)64-39(54)58-4/h5-13H,14-20H2,1-4H3,(H,44,45)