(2S,3S,4S,5R,6R)-6-[[3-[5-[[3-[[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]phenyl]carbonylamino]pentylcarbamoyl]phenyl]carbonylamino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6R)-6-[[3-[5-[[3-[[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]phenyl]carbonylamino]pentylcarbamoyl]phenyl]carbonylamino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-6-[[3-[5-[[3-[[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]carbamoyl]benzoyl]amino]pentylcarbamoyl]benzoyl]amino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-6-[[[3-[[5-[[[3-[[[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-2-oxanyl]amino]-oxomethyl]phenyl]-oxomethyl]amino]pentylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-6-[[3-[5-[[3-[[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]carbamoyl]benzoyl]amino]pentylcarbamoyl]benzoyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-6-[[3-[5-[[3-[[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]carbamoyl]benzoyl]amino]pentylcarbamoyl]benzoyl]amino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C33H40N4O16 MolecularWeight: 748.6879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NCCCCCNC(=O)C2=CC=CC(=C2)C(=O)NC3C(C(C(C(O3)C(=O)O)O)O)O)C(=O)NC4C(C(C(C(O4)C(=O)O)O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NCCCCCNC(=O)C2=CC=CC(=C2)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

InChI

InChI=1S/C33H40N4O16/c38-18-20(40)24(32(48)49)52-30(22(18)42)36-28(46)16-8-4-6-14(12-16)26(44)34-10-2-1-3-11-35-27(45)15-7-5-9-17(13-15)29(47)37-31-23(43)19(39)21(41)25(53-31)33(50)51/h4-9,12-13,18-25,30-31,38-43H,1-3,10-11H2,(H,34,44)(H,35,45)(H,36,46)(H,37,47)(H,48,49)(H,50,51)/t18-,19-,20-,21-,22+,23+,24-,25-,30+,31+/m0/s1