N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide

C159H222F2N12O36 — CID 162245542

IUPACN-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide
SMILESCC(CC(=O)CN1CCOCC1)C(=O)NC(Cc1ccc2[nH]ncc2c1)C(=O)CC(CC1CCCC1)C(=O)C1(C)CO1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCC(O)CC2)C(=O)NC(CC2CC(F)(F)C2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCC(O)CC2)C(=O)NC(CC2CC=CC2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(NC(=O)C(C)CC(=O)C2CCC(O)CC2)C(=O)CC(CC2CCCC2)C(=O)C2(C)CO2)cc1O.COc1ccc(CC(NC(=O)C(C)CC(=O)CN2CCOCC2)C(=O)NC(CC2CCCC2)C(=O)C2CO2)cc1OC
InChIInChI=1S/C33H47NO8.C32H44N4O6.C32H44N2O7.C31H42F2N2O7.C31H45N3O8/c1-20(14-27(36)23-9-11-25(35)12-10-23)32(40)34-26(16-22-8-13-30(41-3)29(38)17-22)28(37)18-24(15-21-6-4-5-7-21)31(39)33(2)19-42-33;1-21(13-26(37)19-36-9-11-41-12-10-36)31(40)34-28(16-23-7-8-27-25(15-23)18-33-35-27)29(38)17-24(14-22-5-3-4-6-22)30(39)32(2)20-42-32;1-20(33-30(38)23-10-12-25(35)13-11-23)28(36)18-24(16-22-8-14-26(40-3)15-9-22)31(39)34-27(17-21-6-4-5-7-21)29(37)32(2)19-41-32;1-18(34-28(39)21-6-8-23(36)9-7-21)26(37)14-22(12-19-4-10-24(41-3)11-5-19)29(40)35-25(27(38)30(2)17-42-30)13-20-15-31(32,33)16-20;1-20(14-23(35)18-34-10-12-41-13-11-34)30(37)33-25(16-22-8-9-26(39-2)27(17-22)40-3)31(38)32-24(29(36)28-19-42-28)15-21-6-4-5-7-21/h8,13,17,20-21,23-26,35,38H,4-7,9-12,14-16,18-19H2,1-3H3,(H,34,40);7-8,15,18,21-22,24,28H,3-6,9-14,16-17,19-20H2,1-2H3,(H,33,35)(H,34,40);4-5,8-9,14-15,20-21,23-25,27,35H,6-7,10-13,16-19H2,1-3H3,(H,33,38)(H,34,39);4-5,10-11,18,20-23,25,36H,6-9,12-17H2,1-3H3,(H,34,39)(H,35,40);8-9,17,20-21,24-25,28H,4-7,10-16,18-19H2,1-3H3,(H,32,38)(H,33,37)
InChIKeyZXHAVAVZFZEPOE-UHFFFAOYSA-N
MW2915.57 g/mol
LogP15.03
Rot. Bonds74

About N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide

N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 162245542) has the molecular formula C159H222F2N12O36 and a molecular weight of 2915.57 g/mol. Its IUPAC name is N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID162245542
Molecular FormulaC159H222F2N12O36
Molecular Weight2915.57 g/mol
Exact Mass2913.59
IUPAC NameN-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide
SMILESCC(CC(=O)CN1CCOCC1)C(=O)NC(Cc1ccc2[nH]ncc2c1)C(=O)CC(CC1CCCC1)C(=O)C1(C)CO1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCC(O)CC2)C(=O)NC(CC2CC(F)(F)C2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCC(O)CC2)C(=O)NC(CC2CC=CC2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(NC(=O)C(C)CC(=O)C2CCC(O)CC2)C(=O)CC(CC2CCCC2)C(=O)C2(C)CO2)cc1O.COc1ccc(CC(NC(=O)C(C)CC(=O)CN2CCOCC2)C(=O)NC(CC2CCCC2)C(=O)C2CO2)cc1OC
InChIInChI=1S/C33H47NO8.C32H44N4O6.C32H44N2O7.C31H42F2N2O7.C31H45N3O8/c1-20(14-27(36)23-9-11-25(35)12-10-23)32(40)34-26(16-22-8-13-30(41-3)29(38)17-22)28(37)18-24(15-21-6-4-5-7-21)31(39)33(2)19-42-33;1-21(13-26(37)19-36-9-11-41-12-10-36)31(40)34-28(16-23-7-8-27-25(15-23)18-33-35-27)29(38)17-24(14-22-5-3-4-6-22)30(39)32(2)20-42-32;1-20(33-30(38)23-10-12-25(35)13-11-23)28(36)18-24(16-22-8-14-26(40-3)15-9-22)31(39)34-27(17-21-6-4-5-7-21)29(37)32(2)19-41-32;1-18(34-28(39)21-6-8-23(36)9-7-21)26(37)14-22(12-19-4-10-24(41-3)11-5-19)29(40)35-25(27(38)30(2)17-42-30)13-20-15-31(32,33)16-20;1-20(14-23(35)18-34-10-12-41-13-11-34)30(37)33-25(16-22-8-9-26(39-2)27(17-22)40-3)31(38)32-24(29(36)28-19-42-28)15-21-6-4-5-7-21/h8,13,17,20-21,23-26,35,38H,4-7,9-12,14-16,18-19H2,1-3H3,(H,34,40);7-8,15,18,21-22,24,28H,3-6,9-14,16-17,19-20H2,1-2H3,(H,33,35)(H,34,40);4-5,8-9,14-15,20-21,23-25,27,35H,6-7,10-13,16-19H2,1-3H3,(H,33,38)(H,34,39);4-5,10-11,18,20-23,25,36H,6-9,12-17H2,1-3H3,(H,34,39)(H,35,40);8-9,17,20-21,24-25,28H,4-7,10-16,18-19H2,1-3H3,(H,32,38)(H,33,37)
InChIKeyZXHAVAVZFZEPOE-UHFFFAOYSA-N
XLogP15.03
TPSA680.98 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds74
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002915.57
LogP ≤ 515.03
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide (CID 162245542) is N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide is CC(CC(=O)CN1CCOCC1)C(=O)NC(Cc1ccc2[nH]ncc2c1)C(=O)CC(CC1CCCC1)C(=O)C1(C)CO1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCC(O)CC2)C(=O)NC(CC2CC(F)(F)C2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCC(O)CC2)C(=O)NC(CC2CC=CC2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(NC(=O)C(C)CC(=O)C2CCC(O)CC2)C(=O)CC(CC2CCCC2)C(=O)C2(C)CO2)cc1O.COc1ccc(CC(NC(=O)C(C)CC(=O)CN2CCOCC2)C(=O)NC(CC2CCCC2)C(=O)C2CO2)cc1OC.
What is the InChIKey of N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is ZXHAVAVZFZEPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47NO8.C32H44N4O6.C32H44N2O7.C31H42F2N2O7.C31H45N3O8/c1-20(14-27(36)23-9-11-25(35)12-10-23)32(40)34-26(16-22-8-13-30(41-3)29(38)17-22)28(37)18-24(15-21-6-4-5-7-21)31(39)33(2)19-42-33;1-21(13-26(37)19-36-9-11-41-12-10-36)31(40)34-28(16-23-7-8-27-25(15-23)18-33-35-27)29(38)17-24(14-22-5-3-4-6-22)30(39)32(2)20-42-32;1-20(33-30(38)23-10-12-25(35)13-11-23)28(36)18-24(16-22-8-14-26(40-3)15-9-22)31(39)34-27(17-21-6-4-5-7-21)29(37)32(2)19-41-32;1-18(34-28(39)21-6-8-23(36)9-7-21)26(37)14-22(12-19-4-10-24(41-3)11-5-19)29(40)35-25(27(38)30(2)17-42-30)13-20-15-31(32,33)16-20;1-20(14-23(35)18-34-10-12-41-13-11-34)30(37)33-25(16-22-8-9-26(39-2)27(17-22)40-3)31(38)32-24(29(36)28-19-42-28)15-21-6-4-5-7-21/h8,13,17,20-21,23-26,35,38H,4-7,9-12,14-16,18-19H2,1-3H3,(H,34,40);7-8,15,18,21-22,24,28H,3-6,9-14,16-17,19-20H2,1-2H3,(H,33,35)(H,34,40);4-5,8-9,14-15,20-21,23-25,27,35H,6-7,10-13,16-19H2,1-3H3,(H,33,38)(H,34,39);4-5,10-11,18,20-23,25,36H,6-9,12-17H2,1-3H3,(H,34,39)(H,35,40);8-9,17,20-21,24-25,28H,4-7,10-16,18-19H2,1-3H3,(H,32,38)(H,33,37).
What are the key properties of N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 2915.57 g/mol, XLogP of 15.03, 74 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[3-cyclopent-3-en-1-yl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide;N-[5-(cyclopentylmethyl)-1-(3-hydroxy-4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-4-(4-hydroxycyclohexyl)-2-methyl-4-oxobutanamide;N-[5-(cyclopentylmethyl)-1-(1H-indazol-5-yl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[1-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[6-[[3-(3,3-difluorocyclobutyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 162245542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).