(3R,4S)-3-acetamido-2-[(1R,2R)-1-[3-[[4-[3-[[(1R,2R)-1-[(3R,4S)-3-acetamido-4-(aminocarbonylamino)-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-bis(oxidanyl)propoxy]carbonylamino]propylamino]-4-oxidanylidene-butanoyl]amino]propylcarbamoyloxy]-2,3-bis(oxidanyl)propyl]-4-(aminocarbonylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: (3R,4S)-3-acetamido-2-[(1R,2R)-1-[3-[[4-[3-[[(1R,2R)-1-[(3R,4S)-3-acetamido-4-(aminocarbonylamino)-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-bis(oxidanyl)propoxy]carbonylamino]propylamino]-4-oxidanylidene-butanoyl]amino]propylcarbamoyloxy]-2,3-bis(oxidanyl)propyl]-4-(aminocarbonylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (3R,4S)-3-acetamido-2-[(1R,2R)-1-[3-[[4-[3-[[(1R,2R)-1-[(3R,4S)-3-acetamido-6-carboxy-4-ureido-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxy-propoxy]carbonylamino]propylamino]-4-oxo-butanoyl]amino]propylcarbamoyloxy]-2,3-dihydroxy-propyl]-4-ureido-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (3R,4S)-3-acetamido-2-[(1R,2R)-1-[[3-[[4-[3-[[[(1R,2R)-1-[(3R,4S)-3-acetamido-4-(carbamoylamino)-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]-oxomethyl]amino]propylamino]-1,4-dioxobutyl]amino]propylamino]-oxomethoxy]-2,3-dihydroxypropyl]-4-(carbamoylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (3R,4S)-3-acetamido-2-[(1R,2R)-1-[3-[[4-[3-[[(1R,2R)-1-[(3R,4S)-3-acetamido-4-(carbamoylamino)-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]propylamino]-4-oxobutanoyl]amino]propylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(carbamoylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (3R,4S)-3-acetamido-2-[(1R,2R)-1-[3-[[4-[3-[[(1R,2R)-1-[(3R,4S)-3-acetamido-6-carboxy-4-ureido-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxy-propoxy]carbonylamino]propylamino]-4-keto-butanoyl]amino]propylcarbamoyloxy]-2,3-dihydroxy-propyl]-4-ureido-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C36H56N10O20 MolecularWeight: 948.88484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C=C(OC1C(C(CO)O)OC(=O)NCCCNC(=O)CCC(=O)NCCCNC(=O)OC(C2C(C(C=C(O2)C(=O)O)NC(=O)N)NC(=O)C)C(CO)O)C(=O)O)NC(=O)N

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C=C(OC1[C@@H]([C@@H](CO)O)OC(=O)NCCCNC(=O)CCC(=O)NCCCNC(=O)O[C@@H](C2[C@@H]([C@H](C=C(O2)C(=O)O)NC(=O)N)NC(=O)C)[C@@H](CO)O)C(=O)O)NC(=O)N

InChI

InChI=1S/C36H56N10O20/c1-15(49)43-25-17(45-33(37)59)11-21(31(55)56)63-29(25)27(19(51)13-47)65-35(61)41-9-3-7-39-23(53)5-6-24(54)40-8-4-10-42-36(62)66-28(20(52)14-48)30-26(44-16(2)50)18(46-34(38)60)12-22(64-30)32(57)58/h11-12,17-20,25-30,47-48,51-52H,3-10,13-14H2,1-2H3,(H,39,53)(H,40,54)(H,41,61)(H,42,62)(H,43,49)(H,44,50)(H,55,56)(H,57,58)(H3,37,45,59)(H3,38,46,60)/t17-,18-,19+,20+,25+,26+,27+,28+,29?,30?/m0/s1