sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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

C217H262F7N12NaO37S — CID 167698665

IUPACsodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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
SMILESC/C(C#N)=C/[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)CC(C)C.CC(C)C[C@H](CC(=O)[C@@H](C)Cc1cccc2ccccc12)C(=O)N[C@@H](C[C@@H]1CCCC1=O)C1OCCO1.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(=O)C(F)(F)F.CC(C)C[C@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(O)C(F)(F)F.CC(C)C[C@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(O)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C40H47N3O5.C38H45F3N2O6.C38H43F3N2O6.C37H46N2O9S.C33H41FN2O6.C31H41NO5.Na/c1-27(2)20-33(39(46)42-34(21-28(3)25-41)22-32-15-8-10-19-37(32)44)24-38(45)36(43-40(47)48-26-29-12-5-4-6-13-29)23-31-17-11-16-30-14-7-9-18-35(30)31;2*1-24(2)19-29(36(47)42-32(35(46)38(39,40)41)21-28-14-7-9-18-33(28)44)22-34(45)31(43-37(48)49-23-25-11-4-3-5-12-25)20-27-16-10-15-26-13-6-8-17-30(26)27;1-24(2)19-29(35(42)38-32(36(43)49(45,46)47)21-28-14-7-9-18-33(28)40)22-34(41)31(39-37(44)48-23-25-11-4-3-5-12-25)20-27-16-10-15-26-13-6-8-17-30(26)27;1-22(2)16-26(32(40)35-28(20-37)18-25-10-6-7-11-30(25)38)19-31(39)29(17-23-12-14-27(34)15-13-23)36-33(41)42-21-24-8-4-3-5-9-24;1-20(2)16-25(19-29(34)21(3)17-23-10-6-9-22-8-4-5-12-26(22)23)30(35)32-27(31-36-14-15-37-31)18-24-11-7-13-28(24)33;/h4-7,9,11-14,16-18,21,27,32-34,36H,8,10,15,19-20,22-24,26H2,1-3H3,(H,42,46)(H,43,47);3-6,8,10-13,15-17,24,28-29,31-32,35,46H,7,9,14,18-23H2,1-2H3,(H,42,47)(H,43,48);3-6,8,10-13,15-17,24,28-29,31-32H,7,9,14,18-23H2,1-2H3,(H,42,47)(H,43,48);3-6,8,10-13,15-17,24,28-29,31-32,36,43H,7,9,14,18-23H2,1-2H3,(H,38,42)(H,39,44)(H,45,46,47);3-5,8-9,12-15,20,22,25-26,28-29H,6-7,10-11,16-19,21H2,1-2H3,(H,35,40)(H,36,41);4-6,8-10,12,20-21,24-25,27,31H,7,11,13-19H2,1-3H3,(H,32,35);/q;;;;;;+1/p-1/b28-21-;;;;;;/t32-,33+,34+,36-;28-,29+,31-,32-,35?;28-,29+,31-,32-;28-,29+,31-,32-,36?;25-,26+,28-,29-;21-,24-,25+,27-;/m000000./s1
InChIKeyYASSGNFYOGOAMF-DWJOHIPLSA-M
MW3818.57 g/mol
LogP33.50
Rot. Bonds88

About sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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

sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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 (PubChem CID 167698665) has the molecular formula C217H262F7N12NaO37S and a molecular weight of 3818.57 g/mol. Its IUPAC name is sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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.

Molecular Properties

Compound Namesodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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
PubChem CID167698665
Molecular FormulaC217H262F7N12NaO37S
Molecular Weight3818.57 g/mol
Exact Mass3815.85
IUPAC Namesodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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
SMILESC/C(C#N)=C/[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)CC(C)C.CC(C)C[C@H](CC(=O)[C@@H](C)Cc1cccc2ccccc12)C(=O)N[C@@H](C[C@@H]1CCCC1=O)C1OCCO1.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(=O)C(F)(F)F.CC(C)C[C@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(O)C(F)(F)F.CC(C)C[C@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(O)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C40H47N3O5.C38H45F3N2O6.C38H43F3N2O6.C37H46N2O9S.C33H41FN2O6.C31H41NO5.Na/c1-27(2)20-33(39(46)42-34(21-28(3)25-41)22-32-15-8-10-19-37(32)44)24-38(45)36(43-40(47)48-26-29-12-5-4-6-13-29)23-31-17-11-16-30-14-7-9-18-35(30)31;2*1-24(2)19-29(36(47)42-32(35(46)38(39,40)41)21-28-14-7-9-18-33(28)44)22-34(45)31(43-37(48)49-23-25-11-4-3-5-12-25)20-27-16-10-15-26-13-6-8-17-30(26)27;1-24(2)19-29(35(42)38-32(36(43)49(45,46)47)21-28-14-7-9-18-33(28)40)22-34(41)31(39-37(44)48-23-25-11-4-3-5-12-25)20-27-16-10-15-26-13-6-8-17-30(26)27;1-22(2)16-26(32(40)35-28(20-37)18-25-10-6-7-11-30(25)38)19-31(39)29(17-23-12-14-27(34)15-13-23)36-33(41)42-21-24-8-4-3-5-9-24;1-20(2)16-25(19-29(34)21(3)17-23-10-6-9-22-8-4-5-12-26(22)23)30(35)32-27(31-36-14-15-37-31)18-24-11-7-13-28(24)33;/h4-7,9,11-14,16-18,21,27,32-34,36H,8,10,15,19-20,22-24,26H2,1-3H3,(H,42,46)(H,43,47);3-6,8,10-13,15-17,24,28-29,31-32,35,46H,7,9,14,18-23H2,1-2H3,(H,42,47)(H,43,48);3-6,8,10-13,15-17,24,28-29,31-32H,7,9,14,18-23H2,1-2H3,(H,42,47)(H,43,48);3-6,8,10-13,15-17,24,28-29,31-32,36,43H,7,9,14,18-23H2,1-2H3,(H,38,42)(H,39,44)(H,45,46,47);3-5,8-9,12-15,20,22,25-26,28-29H,6-7,10-11,16-19,21H2,1-2H3,(H,35,40)(H,36,41);4-6,8-10,12,20-21,24-25,27,31H,7,11,13-19H2,1-3H3,(H,32,35);/q;;;;;;+1/p-1/b28-21-;;;;;;/t32-,33+,34+,36-;28-,29+,31-,32-,35?;28-,29+,31-,32-;28-,29+,31-,32-,36?;25-,26+,28-,29-;21-,24-,25+,27-;/m000000./s1
InChIKeyYASSGNFYOGOAMF-DWJOHIPLSA-M
XLogP33.50
TPSA745.14 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds88
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003818.57
LogP ≤ 533.50
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Analyze sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
CID 157346892
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-[(2S,5R)-5-[[(2S)-4-fluoro-3-hydroxy-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]-7-methyl-1-naphthalen-1-yl-3-oxooctan-2-yl]carbamate
CID 160708176
benzyl N-[(2S,5R)-1-(4-hydroxyphenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]carbamate;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]octan-2-yl]carbamate;benzyl (3R)-5-methyl-3-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]hexanoate;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]octan-2-yl]pyrazine-2-carboxamide;methyl (3S)-3-[(1S)-1-[[(2R,5S)-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanoyl]amino]-2-[(1S)-2-oxocyclopentyl]ethyl]oxirane-2-carboxylate
CID 167664686
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
(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
N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-4-methyl-2-[[(2S)-2-methyl-3-naphthalen-1-ylpropanoyl]amino]pentanamide
CID 161138500
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
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
benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate
CID 160941293
(2R,5S)-N-[(2R)-5-hydroxy-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide
CID 158847459

Frequently Asked Questions

What is the IUPAC name of sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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?
The IUPAC name of sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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 (CID 167698665) is sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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.
What is the SMILES notation for sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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?
The canonical SMILES for sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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 is C/C(C#N)=C/[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)CC(C)C.CC(C)C[C@H](CC(=O)[C@@H](C)Cc1cccc2ccccc12)C(=O)N[C@@H](C[C@@H]1CCCC1=O)C1OCCO1.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(=O)C(F)(F)F.CC(C)C[C@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(O)C(F)(F)F.CC(C)C[C@H](CC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(O)S(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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?
The InChIKey is YASSGNFYOGOAMF-DWJOHIPLSA-M. The full InChI is InChI=1S/C40H47N3O5.C38H45F3N2O6.C38H43F3N2O6.C37H46N2O9S.C33H41FN2O6.C31H41NO5.Na/c1-27(2)20-33(39(46)42-34(21-28(3)25-41)22-32-15-8-10-19-37(32)44)24-38(45)36(43-40(47)48-26-29-12-5-4-6-13-29)23-31-17-11-16-30-14-7-9-18-35(30)31;2*1-24(2)19-29(36(47)42-32(35(46)38(39,40)41)21-28-14-7-9-18-33(28)44)22-34(45)31(43-37(48)49-23-25-11-4-3-5-12-25)20-27-16-10-15-26-13-6-8-17-30(26)27;1-24(2)19-29(35(42)38-32(36(43)49(45,46)47)21-28-14-7-9-18-33(28)40)22-34(41)31(39-37(44)48-23-25-11-4-3-5-12-25)20-27-16-10-15-26-13-6-8-17-30(26)27;1-22(2)16-26(32(40)35-28(20-37)18-25-10-6-7-11-30(25)38)19-31(39)29(17-23-12-14-27(34)15-13-23)36-33(41)42-21-24-8-4-3-5-9-24;1-20(2)16-25(19-29(34)21(3)17-23-10-6-9-22-8-4-5-12-26(22)23)30(35)32-27(31-36-14-15-37-31)18-24-11-7-13-28(24)33;/h4-7,9,11-14,16-18,21,27,32-34,36H,8,10,15,19-20,22-24,26H2,1-3H3,(H,42,46)(H,43,47);3-6,8,10-13,15-17,24,28-29,31-32,35,46H,7,9,14,18-23H2,1-2H3,(H,42,47)(H,43,48);3-6,8,10-13,15-17,24,28-29,31-32H,7,9,14,18-23H2,1-2H3,(H,42,47)(H,43,48);3-6,8,10-13,15-17,24,28-29,31-32,36,43H,7,9,14,18-23H2,1-2H3,(H,38,42)(H,39,44)(H,45,46,47);3-5,8-9,12-15,20,22,25-26,28-29H,6-7,10-11,16-19,21H2,1-2H3,(H,35,40)(H,36,41);4-6,8-10,12,20-21,24-25,27,31H,7,11,13-19H2,1-3H3,(H,32,35);/q;;;;;;+1/p-1/b28-21-;;;;;;/t32-,33+,34+,36-;28-,29+,31-,32-,35?;28-,29+,31-,32-;28-,29+,31-,32-,36?;25-,26+,28-,29-;21-,24-,25+,27-;/m000000./s1.
What are the key properties of sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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?
sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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 has a molecular weight of 3818.57 g/mol, XLogP of 33.50, 88 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;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)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-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;benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-2-[(1S)-2-oxocyclopentyl]ethyl]-5-methyl-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxohexanamide;(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 is sourced from PubChem (CID 167698665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).