(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide

C125H178N8O31S — CID 159906748

About (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide

(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide (PubChem CID 159906748) has the molecular formula C125H178N8O31S and a molecular weight of 2320.89 g/mol. Its IUPAC name is (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
• PubChem CID: 159906748
• Molecular Formula: C125H178N8O31S
• Molecular Weight: 2320.89 g/mol
• Exact Mass: 2319.23
• IUPAC Name: (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
• SMILES: COc1ccc(C[C@H](CC(=O)[C@@H](C)NC(=O)C2CCOCC2)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCOCC2)C(=O)C[C@@H](C[C@@H]2CCOC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCOCC2)C(=O)C[C@@H](C[C@H]2CCOC2)C(=O)[C@@]2(C)CO2)cc1.C[C@H](CC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccc(S(C)(=O)=O)cc1)C(=O)C[C@@H](CC1CCCC1)C(=O)[C@@]1(C)CO1
• InChI: InChI=1S/C32H46N2O8S.2C31H44N2O8.C31H44N2O7/c1-22(16-26(35)20-34-12-14-41-15-13-34)31(38)33-28(18-24-8-10-27(11-9-24)43(3,39)40)29(36)19-25(17-23-6-4-5-7-23)30(37)32(2)21-42-32;2*1-21(14-25(34)18-33-9-12-39-13-10-33)30(37)32-27(16-22-4-6-26(38-3)7-5-22)28(35)17-24(15-23-8-11-40-19-23)29(36)31(2)20-41-31;1-20(32-29(36)23-12-14-39-15-13-23)27(34)18-24(16-22-8-10-25(38-3)11-9-22)30(37)33-26(17-21-6-4-5-7-21)28(35)31(2)19-40-31/h8-11,22-23,25,28H,4-7,12-21H2,1-3H3,(H,33,38);2*4-7,21,23-24,27H,8-20H2,1-3H3,(H,32,37);8-11,20-21,23-24,26H,4-7,12-19H2,1-3H3,(H,32,36)(H,33,37)/t22-,25-,28+,32-;21-,23+,24-,27+,31-;21-,23-,24-,27+,31-;20-,24-,26+,31-/m1111/s1
• InChIKey: NWRBKIQJLIUEMJ-FMEMJBFTSA-N
• XLogP: 9.75
• TPSA: 510.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 62
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2320.89
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

The IUPAC name of (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide (CID 159906748) is (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide.

What is the SMILES notation for (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

The canonical SMILES for (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide is COc1ccc(C[C@H](CC(=O)[C@@H](C)NC(=O)C2CCOCC2)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCOCC2)C(=O)C[C@@H](C[C@@H]2CCOC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)CN2CCOCC2)C(=O)C[C@@H](C[C@H]2CCOC2)C(=O)[C@@]2(C)CO2)cc1.C[C@H](CC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccc(S(C)(=O)=O)cc1)C(=O)C[C@@H](CC1CCCC1)C(=O)[C@@]1(C)CO1.

What is the InChIKey of (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

The InChIKey is NWRBKIQJLIUEMJ-FMEMJBFTSA-N. The full InChI is InChI=1S/C32H46N2O8S.2C31H44N2O8.C31H44N2O7/c1-22(16-26(35)20-34-12-14-41-15-13-34)31(38)33-28(18-24-8-10-27(11-9-24)43(3,39)40)29(36)19-25(17-23-6-4-5-7-23)30(37)32(2)21-42-32;2*1-21(14-25(34)18-33-9-12-39-13-10-33)30(37)32-27(16-22-4-6-26(38-3)7-5-22)28(35)17-24(15-23-8-11-40-19-23)29(36)31(2)20-41-31;1-20(32-29(36)23-12-14-39-15-13-23)27(34)18-24(16-22-8-10-25(38-3)11-9-22)30(37)33-26(17-21-6-4-5-7-21)28(35)31(2)19-40-31/h8-11,22-23,25,28H,4-7,12-21H2,1-3H3,(H,33,38);2*4-7,21,23-24,27H,8-20H2,1-3H3,(H,32,37);8-11,20-21,23-24,26H,4-7,12-19H2,1-3H3,(H,32,36)(H,33,37)/t22-,25-,28+,32-;21-,23+,24-,27+,31-;21-,23-,24-,27+,31-;20-,24-,26+,31-/m1111/s1.

What are the key properties of (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide?

(2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide has a molecular weight of 2320.89 g/mol, XLogP of 9.75, 62 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S,5R)-5-(cyclopentylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(4-methylsulfonylphenyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]oxane-4-carboxamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3R)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxo-5-[[(3S)-oxolan-3-yl]methyl]hexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide is sourced from PubChem (CID 159906748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).