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

Systemtic Name: [(2R,3R,4S,5R,6R)-5-[[3-azanyl-6-[3,6-bis(azanyl)hexanoylamino]hexanoyl]amino]-2-(hydroxymethyl)-3-oxidanyl-6-[(7-oxidanyl-4-oxidanylidene-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-4-yl] carbamate Openeye Name: [(2R,3R,4S,5R,6R)-5-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]tetrahydropyran-4-yl] carbamate CAS Name: carbamic acid [(2R,3R,4S,5R,6R)-5-[[3-amino-6-[(3,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-5-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-4-yl] carbamate Traditional Name: carbamic acid [(2R,3R,4S,5R,6R)-3-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]-5-hydroxy-2-[(7-hydroxy-4-keto-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]-6-methylol-tetrahydropyran-4-yl] ester Formula: C25H46N10O9 MolecularWeight: 630.69434

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)O)OC(=O)N)NC(=O)CC(CCCNC(=O)CC(CCCN)N)N)O

Isomeric SMILES

C1C(C2C(C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)OC(=O)N)NC(=O)CC(CCCNC(=O)CC(CCCN)N)N)O

InChI

InChI=1S/C25H46N10O9/c26-5-1-3-11(27)7-15(38)30-6-2-4-12(28)8-16(39)32-19-21(44-24(29)42)20(40)14(10-36)43-23(19)35-25-33-17-13(37)9-31-22(41)18(17)34-25/h11-14,17-21,23,36-37,40H,1-10,26-28H2,(H2,29,42)(H,30,38)(H,31,41)(H,32,39)(H2,33,34,35)/t11?,12?,13?,14-,17?,18?,19-,20+,21+,23-/m1/s1