[(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-oxidanyl-4-oxidanylidene-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-azanyl-6-[[3-azanyl-6-[3,6-bis(azanyl)hexanoylamino]hexanoyl]amino]hexanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate; sulfuric acid

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-oxidanyl-4-oxidanylidene-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-azanyl-6-[[3-azanyl-6-[3,6-bis(azanyl)hexanoylamino]hexanoyl]amino]hexanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate; sulfuric acid Openeye Name: [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-hydroxy-4-oxo-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate; sulfuric acid CAS Name: carbamic acid [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-hydroxy-4-oxo-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-[[3-amino-6-[(3,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester; sulfuric acid IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-hydroxy-4-oxo-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate; sulfuric acid Traditional Name: carbamic acid [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-hydroxy-4-keto-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-methylol-tetrahydropyran-3-yl] ester; sulfuric acid Formula: C62H126N24O40S5 MolecularWeight: 2008.12564

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2C(C1O)NC(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N.C1=NC(=O)C2C(C1O)NC(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

C1=NC(=O)[C@H]2[C@H]([C@@H]1O)N[C@H](N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N.C1=NC(=O)[C@H]2[C@H]([C@@H]1O)N[C@H](N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/2C31H58N12O10.5H2O4S/c2*32-7-1-4-15(33)10-20(46)37-8-2-5-16(34)11-21(47)38-9-3-6-17(35)12-22(48)40-25-26(49)27(53-30(36)51)19(14-44)52-29(25)43-31-41-23-18(45)13-39-28(50)24(23)42-31;5*1-5(2,3)4/h2*13,15-19,23-27,29,31,41-45,49H,1-12,14,32-35H2,(H2,36,51)(H,37,46)(H,38,47)(H,40,48);5*(H2,1,2,3,4)/t2*15?,16?,17?,18-,19-,23+,24-,25-,26+,27+,29-,31-;;;;;/m11...../s1