(2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

C20H41N5O11 — CID 154804302

About (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

(2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide (PubChem CID 154804302) has the molecular formula C20H41N5O11 and a molecular weight of 527.57 g/mol. Its IUPAC name is (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide.

Molecular Properties

• Compound Name: (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
• PubChem CID: 154804302
• Molecular Formula: C20H41N5O11
• Molecular Weight: 527.57 g/mol
• Exact Mass: 527.28
• IUPAC Name: (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
• SMILES: CO[C@H](O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@H]1NC(=O)[C@H](O)CCN)[C@@H](O)CN
• InChI: InChI=1S/C20H41N5O11/c1-33-19(10(27)5-22)36-17-8(25-18(32)9(26)2-3-21)4-7(24)16(15(17)31)35-20-14(30)13(29)12(28)11(6-23)34-20/h7-17,19-20,26-31H,2-6,21-24H2,1H3,(H,25,32)/t7-,8+,9+,10-,11+,12+,13-,14+,15-,16+,17-,19+,20+/m0/s1
• InChIKey: HPJWWQVMYOGTLU-QPVGLOBCSA-N
• XLogP: -6.90
• TPSA: 291.48 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	527.57
LogP ≤ 5	-6.90
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide?

The IUPAC name of (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide (CID 154804302) is (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide.

What is the SMILES notation for (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide?

The canonical SMILES for (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide is CO[C@H](O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@H]1NC(=O)[C@H](O)CCN)[C@@H](O)CN.

What is the InChIKey of (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide?

The InChIKey is HPJWWQVMYOGTLU-QPVGLOBCSA-N. The full InChI is InChI=1S/C20H41N5O11/c1-33-19(10(27)5-22)36-17-8(25-18(32)9(26)2-3-21)4-7(24)16(15(17)31)35-20-14(30)13(29)12(28)11(6-23)34-20/h7-17,19-20,26-31H,2-6,21-24H2,1H3,(H,25,32)/t7-,8+,9+,10-,11+,12+,13-,14+,15-,16+,17-,19+,20+/m0/s1.

What are the key properties of (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide?

(2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide has a molecular weight of 527.57 g/mol, XLogP of -6.90, 12 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(1R,2S)-3-amino-2-hydroxy-1-methoxypropoxy]-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide is sourced from PubChem (CID 154804302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).