(2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide

C38H74N4O8Si — CID 11297172

About (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide

(2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide (PubChem CID 11297172) has the molecular formula C38H74N4O8Si and a molecular weight of 743.12 g/mol. Its IUPAC name is (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide.

Molecular Properties

• Compound Name: (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide
• PubChem CID: 11297172
• Molecular Formula: C38H74N4O8Si
• Molecular Weight: 743.12 g/mol
• Exact Mass: 742.53
• IUPAC Name: (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[C@](C)(O)CO[Si](C)(C)C(C)(C)C)[C@@H](C)OC(C)(C)C
• InChI: InChI=1S/C38H74N4O8Si/c1-19-24(5)29(40-35(47)31(25(6)20-2)42(16)27(8)43)33(45)41-30(26(7)50-36(9,10)11)34(46)39-28(21-23(3)4)32(44)38(15,48)22-49-51(17,18)37(12,13)14/h23-26,28-31,48H,19-22H2,1-18H3,(H,39,46)(H,40,47)(H,41,45)/t24-,25-,26+,28-,29-,30-,31-,38+/m0/s1
• InChIKey: UTAXNCIEDZBEKO-ODJDYWQPSA-N
• XLogP: 4.97
• TPSA: 163.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	743.12
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide?

The IUPAC name of (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide (CID 11297172) is (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide.

What is the SMILES notation for (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide?

The canonical SMILES for (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide is CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[C@](C)(O)CO[Si](C)(C)C(C)(C)C)[C@@H](C)OC(C)(C)C.

What is the InChIKey of (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide?

The InChIKey is UTAXNCIEDZBEKO-ODJDYWQPSA-N. The full InChI is InChI=1S/C38H74N4O8Si/c1-19-24(5)29(40-35(47)31(25(6)20-2)42(16)27(8)43)33(45)41-30(26(7)50-36(9,10)11)34(46)39-28(21-23(3)4)32(44)38(15,48)22-49-51(17,18)37(12,13)14/h23-26,28-31,48H,19-22H2,1-18H3,(H,39,46)(H,40,47)(H,41,45)/t24-,25-,26+,28-,29-,30-,31-,38+/m0/s1.

What are the key properties of (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide?

(2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide has a molecular weight of 743.12 g/mol, XLogP of 4.97, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-1-[[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-3-methylpentanamide is sourced from PubChem (CID 11297172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).