2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide

C199H252N18O47 — CID 158357405

IUPAC2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide
SMILESCC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COCC(NC(=O)CN1CCOCC1)C(=O)CC(C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1)C(=O)c1ccc(OC)cc1.COc1ccc(C(=O)C(CC(=O)C(C)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(C(O)C(CC(=O)C(C)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCCN2C(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCN2C(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1
InChIInChI=1S/C36H47N3O8.C35H45N3O8.C33H41N3O9.C32H41N3O8.C32H39N3O8.C31H39N3O6/c1-23(37-33(43)29-13-10-18-39(29)34(44)47-35(2,3)4)30(40)21-26(19-25-14-16-27(45-6)17-15-25)32(42)38-28(31(41)36(5)22-46-36)20-24-11-8-7-9-12-24;1-22(36-32(42)28-16-17-38(28)33(43)46-34(2,3)4)29(39)20-25(18-24-12-14-26(44-6)15-13-24)31(41)37-27(30(40)35(5)21-45-35)19-23-10-8-7-9-11-23;1-33(21-45-33)31(40)26(17-22-7-5-4-6-8-22)35-32(41)25(30(39)23-9-11-24(43-3)12-10-23)18-28(37)27(20-42-2)34-29(38)19-36-13-15-44-16-14-36;2*1-21(33-28(37)19-35-13-15-42-16-14-35)27(36)18-25(29(38)23-9-11-24(41-3)12-10-23)31(40)34-26(30(39)32(2)20-43-32)17-22-7-5-4-6-8-22;1-22(32-28(36)20-34-13-15-39-16-14-34)27(35)19-25(17-23-9-5-3-6-10-23)30(38)33-26(29(37)31(2)21-40-31)18-24-11-7-4-8-12-24/h7-9,11-12,14-17,23,26,28-29H,10,13,18-22H2,1-6H3,(H,37,43)(H,38,42);7-15,22,25,27-28H,16-21H2,1-6H3,(H,36,42)(H,37,41);4-12,25-27H,13-21H2,1-3H3,(H,34,38)(H,35,41);4-12,21,25-26,29,38H,13-20H2,1-3H3,(H,33,37)(H,34,40);4-12,21,25-26H,13-20H2,1-3H3,(H,33,37)(H,34,40);3-12,22,25-26H,13-21H2,1-2H3,(H,32,36)(H,33,38)
InChIKeyGTAWPGQQZRRVOJ-UHFFFAOYSA-N
MW3648.28 g/mol
LogP12.55
Rot. Bonds89

About 2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide

2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide (PubChem CID 158357405) has the molecular formula C199H252N18O47 and a molecular weight of 3648.28 g/mol. Its IUPAC name is 2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide.

Molecular Properties

Compound Name2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide
PubChem CID158357405
Molecular FormulaC199H252N18O47
Molecular Weight3648.28 g/mol
Exact Mass3645.79
IUPAC Name2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide
SMILESCC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COCC(NC(=O)CN1CCOCC1)C(=O)CC(C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1)C(=O)c1ccc(OC)cc1.COc1ccc(C(=O)C(CC(=O)C(C)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(C(O)C(CC(=O)C(C)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCCN2C(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCN2C(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1
InChIInChI=1S/C36H47N3O8.C35H45N3O8.C33H41N3O9.C32H41N3O8.C32H39N3O8.C31H39N3O6/c1-23(37-33(43)29-13-10-18-39(29)34(44)47-35(2,3)4)30(40)21-26(19-25-14-16-27(45-6)17-15-25)32(42)38-28(31(41)36(5)22-46-36)20-24-11-8-7-9-12-24;1-22(36-32(42)28-16-17-38(28)33(43)46-34(2,3)4)29(39)20-25(18-24-12-14-26(44-6)15-13-24)31(41)37-27(30(40)35(5)21-45-35)19-23-10-8-7-9-11-23;1-33(21-45-33)31(40)26(17-22-7-5-4-6-8-22)35-32(41)25(30(39)23-9-11-24(43-3)12-10-23)18-28(37)27(20-42-2)34-29(38)19-36-13-15-44-16-14-36;2*1-21(33-28(37)19-35-13-15-42-16-14-35)27(36)18-25(29(38)23-9-11-24(41-3)12-10-23)31(40)34-26(30(39)32(2)20-43-32)17-22-7-5-4-6-8-22;1-22(32-28(36)20-34-13-15-39-16-14-34)27(35)19-25(17-23-9-5-3-6-10-23)30(38)33-26(29(37)31(2)21-40-31)18-24-11-7-4-8-12-24/h7-9,11-12,14-17,23,26,28-29H,10,13,18-22H2,1-6H3,(H,37,43)(H,38,42);7-15,22,25,27-28H,16-21H2,1-6H3,(H,36,42)(H,37,41);4-12,25-27H,13-21H2,1-3H3,(H,34,38)(H,35,41);4-12,21,25-26,29,38H,13-20H2,1-3H3,(H,33,37)(H,34,40);4-12,21,25-26H,13-20H2,1-3H3,(H,33,37)(H,34,40);3-12,22,25-26H,13-21H2,1-2H3,(H,32,36)(H,33,38)
InChIKeyGTAWPGQQZRRVOJ-UHFFFAOYSA-N
XLogP12.55
TPSA847.93 Ų
H-Bond Donors13
H-Bond Acceptors51
Rotatable Bonds89
Heavy Atoms264
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003648.28
LogP ≤ 512.55
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide?
The IUPAC name of 2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide (CID 158357405) is 2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide.
What is the SMILES notation for 2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide?
The canonical SMILES for 2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide is CC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COCC(NC(=O)CN1CCOCC1)C(=O)CC(C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1)C(=O)c1ccc(OC)cc1.COc1ccc(C(=O)C(CC(=O)C(C)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(C(O)C(CC(=O)C(C)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCCN2C(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(C)NC(=O)C2CCN2C(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.
What is the InChIKey of 2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide?
The InChIKey is GTAWPGQQZRRVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N3O8.C35H45N3O8.C33H41N3O9.C32H41N3O8.C32H39N3O8.C31H39N3O6/c1-23(37-33(43)29-13-10-18-39(29)34(44)47-35(2,3)4)30(40)21-26(19-25-14-16-27(45-6)17-15-25)32(42)38-28(31(41)36(5)22-46-36)20-24-11-8-7-9-12-24;1-22(36-32(42)28-16-17-38(28)33(43)46-34(2,3)4)29(39)20-25(18-24-12-14-26(44-6)15-13-24)31(41)37-27(30(40)35(5)21-45-35)19-23-10-8-7-9-11-23;1-33(21-45-33)31(40)26(17-22-7-5-4-6-8-22)35-32(41)25(30(39)23-9-11-24(43-3)12-10-23)18-28(37)27(20-42-2)34-29(38)19-36-13-15-44-16-14-36;2*1-21(33-28(37)19-35-13-15-42-16-14-35)27(36)18-25(29(38)23-9-11-24(41-3)12-10-23)31(40)34-26(30(39)32(2)20-43-32)17-22-7-5-4-6-8-22;1-22(32-28(36)20-34-13-15-39-16-14-34)27(35)19-25(17-23-9-5-3-6-10-23)30(38)33-26(29(37)31(2)21-40-31)18-24-11-7-4-8-12-24/h7-9,11-12,14-17,23,26,28-29H,10,13,18-22H2,1-6H3,(H,37,43)(H,38,42);7-15,22,25,27-28H,16-21H2,1-6H3,(H,36,42)(H,37,41);4-12,25-27H,13-21H2,1-3H3,(H,34,38)(H,35,41);4-12,21,25-26,29,38H,13-20H2,1-3H3,(H,33,37)(H,34,40);4-12,21,25-26H,13-20H2,1-3H3,(H,33,37)(H,34,40);3-12,22,25-26H,13-21H2,1-2H3,(H,32,36)(H,33,38).
What are the key properties of 2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide?
2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide has a molecular weight of 3648.28 g/mol, XLogP of 12.55, 89 rotatable bonds, 13 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]azetidine-1-carboxylate;tert-butyl 2-[[5-[(4-methoxyphenyl)methyl]-6-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;2-[hydroxy-(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-methoxy-2-(4-methoxybenzoyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide is sourced from PubChem (CID 158357405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).