N-[[(3S,4R,5R,6R)-5-azanyl-6-[(2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methyl]-10b,10c-dihydropyrene-1-carboxamide

Systemtic Name: N-[[(3S,4R,5R,6R)-5-azanyl-6-[(2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methyl]-10b,10c-dihydropyrene-1-carboxamide Openeye Name: N-[[(3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methyl]-10b,10c-dihydropyrene-1-carboxamide CAS Name: N-[[(3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxy-2-oxanyl]methyl]-10b,10c-dihydropyrene-1-carboxamide IUPAC Name: N-[[(3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-10b,10c-dihydropyrene-1-carboxamide Traditional Name: N-[[(3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methyl]-10b,10c-dihydropyrene-1-carboxamide Formula: C29H36N4O7 MolecularWeight: 552.61874

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CNC(=O)C3=C4C=CC5=CC=CC6=CC=C(C4C65)C=C3)O)O)N)O)O)N

Isomeric SMILES

C1[C@H]([C@@H]([C@H](C([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H](C(O2)CNC(=O)C3=C4C=CC5=CC=CC6=CC=C(C4C65)C=C3)O)O)N)O)O)N

InChI

InChI=1S/C29H36N4O7/c30-17-10-18(31)27(26(37)23(17)34)40-29-22(32)25(36)24(35)19(39-29)11-33-28(38)16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)21(14)20(12)13/h1-9,17-27,29,34-37H,10-11,30-32H2,(H,33,38)/t17-,18+,19?,20?,21?,22-,23+,24-,25-,26-,27?,29-/m1/s1