(2R,3R,4S)-2-[(1R,2R)-1-[6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexylcarbamoyloxy]-2,3-bis(oxidanyl)propyl]-3-acetamido-4-[bis(azanyl)methylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: (2R,3R,4S)-2-[(1R,2R)-1-[6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexylcarbamoyloxy]-2,3-bis(oxidanyl)propyl]-3-acetamido-4-[bis(azanyl)methylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2R,3R,4S)-2-[(1R,2R)-1-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexylcarbamoyloxy]-2,3-dihydroxy-propyl]-3-acetamido-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (2R,3R,4S)-2-[(1R,2R)-1-[[6-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexylamino]-oxomethoxy]-2,3-dihydroxypropyl]-3-acetamido-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2R,3R,4S)-2-[(1R,2R)-1-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-3-acetamido-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2R,3R,4S)-2-[(1R,2R)-1-[6-[5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]hexylcarbamoyloxy]-2,3-dihydroxy-propyl]-3-acetamido-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C29H48N8O10S MolecularWeight: 700.80402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C=C(OC1C(C(CO)O)OC(=O)NCCCCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)C(=O)O)N=C(N)N

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)OC(=O)NCCCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O)N=C(N)N

InChI

InChI=1S/C29H48N8O10S/c1-15(39)34-23-16(35-27(30)31)12-19(26(42)43)46-25(23)24(18(40)13-38)47-29(45)33-11-7-3-2-6-10-32-21(41)9-5-4-8-20-22-17(14-48-20)36-28(44)37-22/h12,16-18,20,22-25,38,40H,2-11,13-14H2,1H3,(H,32,41)(H,33,45)(H,34,39)(H,42,43)(H4,30,31,35)(H2,36,37,44)/t16-,17-,18+,20-,22-,23+,24+,25+/m0/s1