4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

C26H53N7O11 — CID 91275079

IUPAC4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
SMILESNCCC(O)CNCC1OC(C2C(N)CC(NC(=O)C(O)CCN)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O
InChIInChI=1S/C26H53N7O11/c27-3-1-10(35)7-32-8-16-15(37)6-12(30)23(42-16)18-11(29)5-13(33-25(41)14(36)2-4-28)24(21(18)39)44-26-22(40)19(31)20(38)17(9-34)43-26/h10-24,26,32,34-40H,1-9,27-31H2,(H,33,41)
InChIKeyPKKLXWAULZSGGY-UHFFFAOYSA-N
MW639.75 g/mol
LogP-7.81
Rot. Bonds14

About 4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide (PubChem CID 91275079) has the molecular formula C26H53N7O11 and a molecular weight of 639.75 g/mol. Its IUPAC name is 4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide.

Molecular Properties

Compound Name4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
PubChem CID91275079
Molecular FormulaC26H53N7O11
Molecular Weight639.75 g/mol
Exact Mass639.38
IUPAC Name4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
SMILESNCCC(O)CNCC1OC(C2C(N)CC(NC(=O)C(O)CCN)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O
InChIInChI=1S/C26H53N7O11/c27-3-1-10(35)7-32-8-16-15(37)6-12(30)23(42-16)18-11(29)5-13(33-25(41)14(36)2-4-28)24(21(18)39)44-26-22(40)19(31)20(38)17(9-34)43-26/h10-24,26,32,34-40H,1-9,27-31H2,(H,33,41)
InChIKeyPKKLXWAULZSGGY-UHFFFAOYSA-N
XLogP-7.81
TPSA340.53 Ų
H-Bond Donors14
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500639.75
LogP ≤ 5-7.81
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1017

Analyze 4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide
CID 91473116
4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 91384767
4-amino-N-[5-amino-4-[3-[(3-aminocyclobutyl)methylamino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 91038987
(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-5-hydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 67891881
4-amino-N-[5-amino-4-[3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 90743607
4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3-(diaminomethylideneamino)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 90820774
2-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-6-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4,5-triol
CID 91215993
(2S)-4-amino-N-[(1S,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]-2-hydroxybutanamide
CID 156903266
5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol
CID 91125195
4-amino-N-[5-amino-4-[3-[(3-aminocyclobutyl)methylamino]-6-(aminomethyl)oxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 91200757
(2S)-4-amino-N-[(2S,3S)-5-amino-2-[(5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(5S)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 134693982
(2S)-4-amino-N-[(1R,2R,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 124835987

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide?
The IUPAC name of 4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide (CID 91275079) is 4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide.
What is the SMILES notation for 4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide?
The canonical SMILES for 4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide is NCCC(O)CNCC1OC(C2C(N)CC(NC(=O)C(O)CCN)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O.
What is the InChIKey of 4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide?
The InChIKey is PKKLXWAULZSGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N7O11/c27-3-1-10(35)7-32-8-16-15(37)6-12(30)23(42-16)18-11(29)5-13(33-25(41)14(36)2-4-28)24(21(18)39)44-26-22(40)19(31)20(38)17(9-34)43-26/h10-24,26,32,34-40H,1-9,27-31H2,(H,33,41).
What are the key properties of 4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide?
4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide has a molecular weight of 639.75 g/mol, XLogP of -7.81, 14 rotatable bonds, 14 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide is sourced from PubChem (CID 91275079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).