(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride

C30H54ClN3O6 — CID 23626584

About (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride

(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride (PubChem CID 23626584) has the molecular formula C30H54ClN3O6 and a molecular weight of 588.23 g/mol. Its IUPAC name is (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride
• PubChem CID: 23626584
• Molecular Formula: C30H54ClN3O6
• Molecular Weight: 588.23 g/mol
• Exact Mass: 587.37
• IUPAC Name: (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride
• SMILES: CNC(=O)[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C.Cl
• InChI: InChI=1S/C30H53N3O6.ClH/c1-19(2)23(14-22-10-11-27(38-8)28(15-22)39-13-9-12-37-7)16-25(31)26(34)17-24(20(3)4)30(36)33-18-21(5)29(35)32-6;/h10-11,15,19-21,23-26,34H,9,12-14,16-18,31H2,1-8H3,(H,32,35)(H,33,36);1H/t21-,23+,24+,25+,26+;/m1./s1
• InChIKey: CMGGQCFXWKXGFM-PWHPRNDVSA-N
• XLogP: 3.59
• TPSA: 132.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.23
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride?

The IUPAC name of (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride (CID 23626584) is (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride.

What is the SMILES notation for (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride?

The canonical SMILES for (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride is CNC(=O)[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C.Cl.

What is the InChIKey of (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride?

The InChIKey is CMGGQCFXWKXGFM-PWHPRNDVSA-N. The full InChI is InChI=1S/C30H53N3O6.ClH/c1-19(2)23(14-22-10-11-27(38-8)28(15-22)39-13-9-12-37-7)16-25(31)26(34)17-24(20(3)4)30(36)33-18-21(5)29(35)32-6;/h10-11,15,19-21,23-26,34H,9,12-14,16-18,31H2,1-8H3,(H,32,35)(H,33,36);1H/t21-,23+,24+,25+,26+;/m1./s1.

What are the key properties of (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride?

(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride has a molecular weight of 588.23 g/mol, XLogP of 3.59, 19 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylnonanamide;hydrochloride is sourced from PubChem (CID 23626584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).