ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide

C160H204FN13O29S — CID 167651494

IUPACethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide
SMILESCC.CCOC(=O)/C=C/[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cc(C)on1)CC(C)C.Cc1cc(C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1cc(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1ccsc1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O
InChIInChI=1S/C38H47N3O7.C35H42N2O5S.C34H41N3O6.C30H38FN3O6.C21H30N2O5.C2H6/c1-5-47-36(44)18-17-30(21-28-12-7-9-16-34(28)42)39-37(45)29(19-24(2)3)23-35(43)32(40-38(46)33-20-25(4)48-41-33)22-27-14-10-13-26-11-6-8-15-31(26)27;1-22(2)17-27(34(41)36-28(21-38)18-26-10-5-7-14-31(26)39)20-32(40)30(37-35(42)33-23(3)15-16-43-33)19-25-12-8-11-24-9-4-6-13-29(24)25;1-21(2)15-26(33(41)35-27(20-38)17-25-10-5-7-14-31(25)39)19-32(40)29(36-34(42)30-16-22(3)43-37-30)18-24-12-8-11-23-9-4-6-13-28(23)24;1-18(2)12-22(29(38)32-24(17-35)15-21-6-4-5-7-27(21)36)16-28(37)25(14-20-8-10-23(31)11-9-20)33-30(39)26-13-19(3)40-34-26;1-13(2)8-16(11-20(26)18-9-14(3)28-23-18)21(27)22-17(12-24)10-15-6-4-5-7-19(15)25;1-2/h6,8,10-11,13-15,17-18,20,24,28-30,32H,5,7,9,12,16,19,21-23H2,1-4H3,(H,39,45)(H,40,46);4,6,8-9,11-13,15-16,21-22,26-28,30H,5,7,10,14,17-20H2,1-3H3,(H,36,41)(H,37,42);4,6,8-9,11-13,16,20-21,25-27,29H,5,7,10,14-15,17-19H2,1-3H3,(H,35,41)(H,36,42);8-11,13,17-18,21-22,24-25H,4-7,12,14-16H2,1-3H3,(H,32,38)(H,33,39);9,12-13,15-17H,4-8,10-11H2,1-3H3,(H,22,27);1-2H3/b18-17+;;;;;/t28-,29+,30+,32-;26-,27+,28-,30-;25-,26+,27-,29-;21-,22+,24-,25-;15-,16+,17-;/m00000./s1
InChIKeyQQKGTEWJKOEVDE-DZHWKCIHSA-N
MW2824.52 g/mol
LogP24.78
Rot. Bonds68

About ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide

ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide (PubChem CID 167651494) has the molecular formula C160H204FN13O29S and a molecular weight of 2824.52 g/mol. Its IUPAC name is ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide.

Molecular Properties

Compound Nameethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide
PubChem CID167651494
Molecular FormulaC160H204FN13O29S
Molecular Weight2824.52 g/mol
Exact Mass2822.46
IUPAC Nameethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide
SMILESCC.CCOC(=O)/C=C/[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cc(C)on1)CC(C)C.Cc1cc(C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1cc(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1ccsc1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O
InChIInChI=1S/C38H47N3O7.C35H42N2O5S.C34H41N3O6.C30H38FN3O6.C21H30N2O5.C2H6/c1-5-47-36(44)18-17-30(21-28-12-7-9-16-34(28)42)39-37(45)29(19-24(2)3)23-35(43)32(40-38(46)33-20-25(4)48-41-33)22-27-14-10-13-26-11-6-8-15-31(26)27;1-22(2)17-27(34(41)36-28(21-38)18-26-10-5-7-14-31(26)39)20-32(40)30(37-35(42)33-23(3)15-16-43-33)19-25-12-8-11-24-9-4-6-13-29(24)25;1-21(2)15-26(33(41)35-27(20-38)17-25-10-5-7-14-31(25)39)19-32(40)29(36-34(42)30-16-22(3)43-37-30)18-24-12-8-11-23-9-4-6-13-28(23)24;1-18(2)12-22(29(38)32-24(17-35)15-21-6-4-5-7-27(21)36)16-28(37)25(14-20-8-10-23(31)11-9-20)33-30(39)26-13-19(3)40-34-26;1-13(2)8-16(11-20(26)18-9-14(3)28-23-18)21(27)22-17(12-24)10-15-6-4-5-7-19(15)25;1-2/h6,8,10-11,13-15,17-18,20,24,28-30,32H,5,7,9,12,16,19,21-23H2,1-4H3,(H,39,45)(H,40,46);4,6,8-9,11-13,15-16,21-22,26-28,30H,5,7,10,14,17-20H2,1-3H3,(H,36,41)(H,37,42);4,6,8-9,11-13,16,20-21,25-27,29H,5,7,10,14-15,17-19H2,1-3H3,(H,35,41)(H,36,42);8-11,13,17-18,21-22,24-25H,4-7,12,14-16H2,1-3H3,(H,32,38)(H,33,39);9,12-13,15-17H,4-8,10-11H2,1-3H3,(H,22,27);1-2H3/b18-17+;;;;;/t28-,29+,30+,32-;26-,27+,28-,30-;25-,26+,27-,29-;21-,22+,24-,25-;15-,16+,17-;/m00000./s1
InChIKeyQQKGTEWJKOEVDE-DZHWKCIHSA-N
XLogP24.78
TPSA631.30 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds68
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002824.52
LogP ≤ 524.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide with MolForge

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Related Compounds

1-diethoxyphosphorylpropan-2-one;bis(ethyl (E)-4-[[(2R,5S)-2-(2-methylpropyl)-5-[(3-methylthiophene-2-carbonyl)amino]-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate);3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide
CID 157403468
5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide
CID 157415165
methyl (2S)-2-[[(2R,5S)-2-(2-methylpropyl)-5-[(3-methylthiophene-2-carbonyl)amino]-6-naphthalen-1-yl-4-oxohexanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate
CID 157067238
4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide
CID 167600451
sodium;benzyl N-[(2S,5R)-5-[[(2S)-1-cyano-1-hydroxy-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-7-methyl-1-naphthalen-1-yl-3-oxooctan-2-yl]carbamate;benzyl N-[(2S,5R)-5-[[(Z,2S)-4-cyano-1-[(1S)-2-oxocyclohexyl]pent-3-en-2-yl]carbamoyl]-7-methyl-1-naphthalen-1-yl-3-oxooctan-2-yl]carbamate;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-hydroxy-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-1-hydroxy-2-[[(2R,5S)-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propane-1-sulfonate;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(E,2S)-1-[(1S)-2-oxocyclohexyl]pent-3-en-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide
CID 158633436
ethyl (E)-4-[[(2S)-4-methyl-2-[[(2S)-2-[(3-methylthiophene-2-carbonyl)amino]-3-naphthalen-1-ylpropanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopiperidin-3-yl]pent-2-enoate
CID 155470302
ethyl 4-[[3-(4-fluorophenyl)-2-[methyl-[4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]propanoyl]amino]-5-(2-oxopiperidin-3-yl)pent-2-enoate
CID 85124459
ethyl (E,4S)-4-[[(2R,5R)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3R)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 169446224
(2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide
CID 158482074
(E)-4-[[4-methyl-2-[[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-naphthalen-1-ylpropanoyl]amino]pentanoyl]amino]-5-(2-oxopiperidin-3-yl)pent-2-enoic acid
CID 155369764
bis(benzyl N-[(2S,5R)-5-[[(2S)-1-cyano-1-hydroxy-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-7-methyl-1-naphthalen-1-yl-3-oxooctan-2-yl]carbamate);benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]carbamate
CID 158494901
benzyl N-[(2R,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxo-N-[(2R)-5-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-[(2-phenylacetyl)amino]hexanamide;(2R,5S)-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxo-N-[(E,2S)-5-oxo-1-[(1S)-2-oxocyclohexyl]pent-3-en-2-yl]-5-[(2-phenylacetyl)amino]hexanamide
CID 162233769

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide?
The IUPAC name of ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide (CID 167651494) is ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide.
What is the SMILES notation for ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide?
The canonical SMILES for ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide is CC.CCOC(=O)/C=C/[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cc(C)on1)CC(C)C.Cc1cc(C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1cc(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1ccsc1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O.
What is the InChIKey of ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide?
The InChIKey is QQKGTEWJKOEVDE-DZHWKCIHSA-N. The full InChI is InChI=1S/C38H47N3O7.C35H42N2O5S.C34H41N3O6.C30H38FN3O6.C21H30N2O5.C2H6/c1-5-47-36(44)18-17-30(21-28-12-7-9-16-34(28)42)39-37(45)29(19-24(2)3)23-35(43)32(40-38(46)33-20-25(4)48-41-33)22-27-14-10-13-26-11-6-8-15-31(26)27;1-22(2)17-27(34(41)36-28(21-38)18-26-10-5-7-14-31(26)39)20-32(40)30(37-35(42)33-23(3)15-16-43-33)19-25-12-8-11-24-9-4-6-13-29(24)25;1-21(2)15-26(33(41)35-27(20-38)17-25-10-5-7-14-31(25)39)19-32(40)29(36-34(42)30-16-22(3)43-37-30)18-24-12-8-11-23-9-4-6-13-28(23)24;1-18(2)12-22(29(38)32-24(17-35)15-21-6-4-5-7-27(21)36)16-28(37)25(14-20-8-10-23(31)11-9-20)33-30(39)26-13-19(3)40-34-26;1-13(2)8-16(11-20(26)18-9-14(3)28-23-18)21(27)22-17(12-24)10-15-6-4-5-7-19(15)25;1-2/h6,8,10-11,13-15,17-18,20,24,28-30,32H,5,7,9,12,16,19,21-23H2,1-4H3,(H,39,45)(H,40,46);4,6,8-9,11-13,15-16,21-22,26-28,30H,5,7,10,14,17-20H2,1-3H3,(H,36,41)(H,37,42);4,6,8-9,11-13,16,20-21,25-27,29H,5,7,10,14-15,17-19H2,1-3H3,(H,35,41)(H,36,42);8-11,13,17-18,21-22,24-25H,4-7,12,14-16H2,1-3H3,(H,32,38)(H,33,39);9,12-13,15-17H,4-8,10-11H2,1-3H3,(H,22,27);1-2H3/b18-17+;;;;;/t28-,29+,30+,32-;26-,27+,28-,30-;25-,26+,27-,29-;21-,22+,24-,25-;15-,16+,17-;/m00000./s1.
What are the key properties of ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide?
ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide has a molecular weight of 2824.52 g/mol, XLogP of 24.78, 68 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl (E,4S)-4-[[(2R,5S)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-5-[(1S)-2-oxocyclohexyl]pent-2-enoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;3-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]thiophene-2-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide is sourced from PubChem (CID 167651494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).