2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2R,3R,4R,5S,6R)-2-[(2S,3S,4R,5R)-5-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethanoylamino]-1,3,4,6-tetrakis(oxidanyl)hexan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]amino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2R,3R,4R,5S,6R)-2-[(2S,3S,4R,5R)-5-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethanoylamino]-1,3,4,6-tetrakis(oxidanyl)hexan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]amino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethyl]amino]ethanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2R,3R,4R,5S,6R)-2-[(1S,2S,3R,4R)-4-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-2,3,5-trihydroxy-1-(hydroxymethyl)pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]amino]-2-oxo-ethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2R,3R,4R,5S,6R)-2-[(2S,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-1-oxoethyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2R,3R,4R,5S,6R)-2-[(2S,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2R,3R,4R,5S,6R)-2-[(1S,2S,3R,4R)-4-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-2,3,5-trihydroxy-1-methylol-pentoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]amino]-2-keto-ethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid Formula: C40H68N8O27 MolecularWeight: 1093.00532

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Descriptors Computed from Structure

Canonical SMILES:

C(CN(CC(=O)NC1C(C(C(OC1OC(CO)C(C(C(CO)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)O)O)CO)O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C(CN(CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H](CO)[C@H]([C@@H]([C@@H](CO)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)O)O)CO)O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C40H68N8O27/c49-19-22(41-25(52)9-45(13-29(58)59)5-1-43(11-27(54)55)3-7-47(15-31(62)63)16-32(64)65)36(70)37(71)23(20-50)74-40-35(39(73)38(72)24(21-51)75-40)42-26(53)10-46(14-30(60)61)6-2-44(12-28(56)57)4-8-48(17-33(66)67)18-34(68)69/h22-24,35-40,49-51,70-73H,1-21H2,(H,41,52)(H,42,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)/t22-,23+,24-,35-,36-,37-,38-,39-,40+/m1/s1