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

Systemtic Name: 2-[bis[2-[carboxymethyl-[2-[2-[[(2R,3R,4R,5R)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoyl]amino]ethylamino]-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[bis[2-[carboxymethyl-[2-oxo-2-[2-[[(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoyl]amino]ethylamino]ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[bis[2-[carboxymethyl-[2-oxo-2-[2-[[(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-1-oxo-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexyl]amino]ethylamino]ethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[bis[2-[carboxymethyl-[2-oxo-2-[2-[[(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl]amino]ethylamino]ethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[bis[2-[carboxymethyl-[2-keto-2-[2-[[(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexanoyl]amino]ethylamino]ethyl]amino]ethyl]amino]acetic acid Formula: C42H75N7O30 MolecularWeight: 1158.0738

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=O)C(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)NC(=O)CN(CCN(CCN(CC(=O)NCCNC(=O)C(C(C(C(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C(CNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)NC(=O)CN(CCN(CCN(CC(=O)NCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C42H75N7O30/c50-14-18(54)37(78-41-35(72)29(66)27(64)20(16-52)76-41)31(68)33(70)39(74)45-3-1-43-22(56)9-48(12-25(60)61)7-5-47(11-24(58)59)6-8-49(13-26(62)63)10-23(57)44-2-4-46-40(75)34(71)32(69)38(19(55)15-51)79-42-36(73)30(67)28(65)21(17-53)77-42/h18-21,27-38,41-42,50-55,64-73H,1-17H2,(H,43,56)(H,44,57)(H,45,74)(H,46,75)(H,58,59)(H,60,61)(H,62,63)/t18-,19-,20-,21-,27-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,41+,42+/m1/s1