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

C153H192FN11O29 — CID 167664686

IUPACbenzyl 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
SMILESCC(C)C[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnccn1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(O)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=O)C[C@@H]1CCCC1=O.COC(=O)C1O[C@H]1[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H](CC(=O)[C@@H](C)Cc1cccc2ccccc12)CC(C)C
InChIInChI=1S/C36H42N2O6.C33H42N2O7.C32H41NO6.C28H34FN5O5.C24H33NO5/c1-24(2)18-29(35(42)37-30(22-39)19-28-15-9-17-33(28)40)21-34(41)32(38-36(43)44-23-25-10-4-3-5-11-25)20-27-14-8-13-26-12-6-7-16-31(26)27;1-22(2)16-26(32(40)34-27(20-36)18-25-10-6-7-11-30(25)38)19-31(39)29(17-23-12-14-28(37)15-13-23)35-33(41)42-21-24-8-4-3-5-9-24;1-19(2)15-24(18-28(35)20(3)16-22-11-7-10-21-9-5-6-13-25(21)22)31(36)33-26(17-23-12-8-14-27(23)34)29-30(39-29)32(37)38-4;1-17(2)11-20(27(38)33-22(16-35)13-19-7-8-32-26(19)37)14-25(36)23(12-18-3-5-21(29)6-4-18)34-28(39)24-15-30-9-10-31-24;1-17(2)12-20(14-23(28)30-16-18-8-4-3-5-9-18)24(29)25-21(15-26)13-19-10-6-7-11-22(19)27/h3-8,10-14,16,22,24,28-30,32H,9,15,17-21,23H2,1-2H3,(H,37,42)(H,38,43);3-5,8-9,12-15,20,22,25-27,29,37H,6-7,10-11,16-19,21H2,1-2H3,(H,34,40)(H,35,41);5-7,9-11,13,19-20,23-24,26,29-30H,8,12,14-18H2,1-4H3,(H,33,36);3-6,9-10,15-17,19-20,22-23H,7-8,11-14H2,1-2H3,(H,32,37)(H,33,38)(H,34,39);3-5,8-9,15,17,19-21H,6-7,10-14,16H2,1-2H3,(H,25,29)/t28-,29+,30-,32-;25-,26+,27-,29-;20-,23-,24+,26-,29-,30?;19-,20+,22-,23-;19-,20+,21-/m00000/s1
InChIKeySLLOLVQRLHAZOC-ZGBJVHOHSA-N
MW2668.26 g/mol
LogP20.65
Rot. Bonds68

About 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

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 (PubChem CID 167664686) has the molecular formula C153H192FN11O29 and a molecular weight of 2668.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID167664686
Molecular FormulaC153H192FN11O29
Molecular Weight2668.26 g/mol
Exact Mass2666.39
IUPAC Namebenzyl 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
SMILESCC(C)C[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnccn1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(O)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=O)C[C@@H]1CCCC1=O.COC(=O)C1O[C@H]1[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H](CC(=O)[C@@H](C)Cc1cccc2ccccc12)CC(C)C
InChIInChI=1S/C36H42N2O6.C33H42N2O7.C32H41NO6.C28H34FN5O5.C24H33NO5/c1-24(2)18-29(35(42)37-30(22-39)19-28-15-9-17-33(28)40)21-34(41)32(38-36(43)44-23-25-10-4-3-5-11-25)20-27-14-8-13-26-12-6-7-16-31(26)27;1-22(2)16-26(32(40)34-27(20-36)18-25-10-6-7-11-30(25)38)19-31(39)29(17-23-12-14-28(37)15-13-23)35-33(41)42-21-24-8-4-3-5-9-24;1-19(2)15-24(18-28(35)20(3)16-22-11-7-10-21-9-5-6-13-25(21)22)31(36)33-26(17-23-12-8-14-27(23)34)29-30(39-29)32(37)38-4;1-17(2)11-20(27(38)33-22(16-35)13-19-7-8-32-26(19)37)14-25(36)23(12-18-3-5-21(29)6-4-18)34-28(39)24-15-30-9-10-31-24;1-17(2)12-20(14-23(28)30-16-18-8-4-3-5-9-18)24(29)25-21(15-26)13-19-10-6-7-11-22(19)27/h3-8,10-14,16,22,24,28-30,32H,9,15,17-21,23H2,1-2H3,(H,37,42)(H,38,43);3-5,8-9,12-15,20,22,25-27,29,37H,6-7,10-11,16-19,21H2,1-2H3,(H,34,40)(H,35,41);5-7,9-11,13,19-20,23-24,26,29-30H,8,12,14-18H2,1-4H3,(H,33,36);3-6,9-10,15-17,19-20,22-23H,7-8,11-14H2,1-2H3,(H,32,37)(H,33,38)(H,34,39);3-5,8-9,15,17,19-21H,6-7,10-14,16H2,1-2H3,(H,25,29)/t28-,29+,30-,32-;25-,26+,27-,29-;20-,23-,24+,26-,29-,30?;19-,20+,22-,23-;19-,20+,21-/m00000/s1
InChIKeySLLOLVQRLHAZOC-ZGBJVHOHSA-N
XLogP20.65
TPSA596.34 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds68
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002668.26
LogP ≤ 520.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnccn1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(O)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=O)C[C@@H]1CCCC1=O.COC(=O)C1O[C@H]1[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H](CC(=O)[C@@H](C)Cc1cccc2ccccc12)CC(C)C.
What is the InChIKey of 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?
The InChIKey is SLLOLVQRLHAZOC-ZGBJVHOHSA-N. The full InChI is InChI=1S/C36H42N2O6.C33H42N2O7.C32H41NO6.C28H34FN5O5.C24H33NO5/c1-24(2)18-29(35(42)37-30(22-39)19-28-15-9-17-33(28)40)21-34(41)32(38-36(43)44-23-25-10-4-3-5-11-25)20-27-14-8-13-26-12-6-7-16-31(26)27;1-22(2)16-26(32(40)34-27(20-36)18-25-10-6-7-11-30(25)38)19-31(39)29(17-23-12-14-28(37)15-13-23)35-33(41)42-21-24-8-4-3-5-9-24;1-19(2)15-24(18-28(35)20(3)16-22-11-7-10-21-9-5-6-13-25(21)22)31(36)33-26(17-23-12-8-14-27(23)34)29-30(39-29)32(37)38-4;1-17(2)11-20(27(38)33-22(16-35)13-19-7-8-32-26(19)37)14-25(36)23(12-18-3-5-21(29)6-4-18)34-28(39)24-15-30-9-10-31-24;1-17(2)12-20(14-23(28)30-16-18-8-4-3-5-9-18)24(29)25-21(15-26)13-19-10-6-7-11-22(19)27/h3-8,10-14,16,22,24,28-30,32H,9,15,17-21,23H2,1-2H3,(H,37,42)(H,38,43);3-5,8-9,12-15,20,22,25-27,29,37H,6-7,10-11,16-19,21H2,1-2H3,(H,34,40)(H,35,41);5-7,9-11,13,19-20,23-24,26,29-30H,8,12,14-18H2,1-4H3,(H,33,36);3-6,9-10,15-17,19-20,22-23H,7-8,11-14H2,1-2H3,(H,32,37)(H,33,38)(H,34,39);3-5,8-9,15,17,19-21H,6-7,10-14,16H2,1-2H3,(H,25,29)/t28-,29+,30-,32-;25-,26+,27-,29-;20-,23-,24+,26-,29-,30?;19-,20+,22-,23-;19-,20+,21-/m00000/s1.
What are the key properties of 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?
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 has a molecular weight of 2668.26 g/mol, XLogP of 20.65, 68 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167664686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).