N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide

C32H43N5O3S — CID 140646948

About N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide

N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide (PubChem CID 140646948) has the molecular formula C32H43N5O3S and a molecular weight of 577.80 g/mol. Its IUPAC name is N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide.

Molecular Properties

• Compound Name: N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide
• PubChem CID: 140646948
• Molecular Formula: C32H43N5O3S
• Molecular Weight: 577.80 g/mol
• Exact Mass: 577.31
• IUPAC Name: N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide
• SMILES: CCC(C)C(C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1)N1CCN(Cc2csc(C)n2)C1=O
• InChI: InChI=1S/C32H43N5O3S/c1-4-22(2)30(37-16-15-36(32(37)40)20-27-21-41-23(3)34-27)31(39)35-26(17-24-11-7-5-8-12-24)19-29(38)28(33)18-25-13-9-6-10-14-25/h5-14,21-22,26,28-30,38H,4,15-20,33H2,1-3H3,(H,35,39)/t22?,26-,28-,29-,30?/m0/s1
• InChIKey: ULCQIYISXWQIOK-YIDHNTSXSA-N
• XLogP: 4.15
• TPSA: 111.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.80
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide?

The IUPAC name of N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide (CID 140646948) is N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide.

What is the SMILES notation for N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide?

The canonical SMILES for N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide is CCC(C)C(C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1)N1CCN(Cc2csc(C)n2)C1=O.

What is the InChIKey of N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide?

The InChIKey is ULCQIYISXWQIOK-YIDHNTSXSA-N. The full InChI is InChI=1S/C32H43N5O3S/c1-4-22(2)30(37-16-15-36(32(37)40)20-27-21-41-23(3)34-27)31(39)35-26(17-24-11-7-5-8-12-24)19-29(38)28(33)18-25-13-9-6-10-14-25/h5-14,21-22,26,28-30,38H,4,15-20,33H2,1-3H3,(H,35,39)/t22?,26-,28-,29-,30?/m0/s1.

What are the key properties of N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide?

N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide has a molecular weight of 577.80 g/mol, XLogP of 4.15, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]pentanamide is sourced from PubChem (CID 140646948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).