(2S)-N-[(1R,2S,3R,4R,5S)-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[2-(4-azanylbutylamino)ethoxy]-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide

Systemtic Name: (2S)-N-[(1R,2S,3R,4R,5S)-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[2-(4-azanylbutylamino)ethoxy]-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide Openeye Name: (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2-[2-(4-aminobutylamino)ethoxy]-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide CAS Name: (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-2-[2-(4-aminobutylamino)ethoxy]-3-hydroxycyclohexyl]-2-hydroxybutanamide IUPAC Name: (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[2-(4-aminobutylamino)ethoxy]-3-hydroxycyclohexyl]-2-hydroxybutanamide Traditional Name: (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2-[2-(4-aminobutylamino)ethoxy]-3-hydroxy-cyclohexyl]-2-hydroxy-butyramide Formula: C22H47N7O8 MolecularWeight: 537.65068

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1NC(=O)C(CCN)O)OCCNCCCCN)O)OC2C(C(C(C(O2)CN)O)O)N)N

Isomeric SMILES

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)OCCNCCCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)N

InChI

InChI=1S/C22H47N7O8/c23-4-1-2-6-28-7-8-35-20-12(29-21(34)13(30)3-5-24)9-11(26)19(18(20)33)37-22-15(27)17(32)16(31)14(10-25)36-22/h11-20,22,28,30-33H,1-10,23-27H2,(H,29,34)/t11-,12+,13-,14+,15+,16+,17+,18-,19+,20-,22+/m0/s1