(2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride

C127H163ClFN19O26S — CID 163461415

IUPAC(2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride
SMILESCOC(=O)[C@](C)(CC1CCNC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(OC)cccc2[nH]1)CC1CC1.COC(=O)[C@](C)(CC1CCNC1=O)NC(=O)[C@@H](N)CC1CC1.COc1cccc2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@@](C)(CC3CCNC3=O)C(N)=O)cc12.COc1cccc2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@](C)(C#N)CC3CCNC3=O)cc12.COc1cccc2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@](C)(C#N)CC3CCNC3=O)cc12.COc1cccc2[nH]c(C(=O)O)cc12.CSF.Cl
InChIInChI=1S/C26H33N3O6.C25H32N4O5.2C25H30N4O4.C15H25N3O4.C10H9NO3.CH3FS.ClH/c1-26(25(33)35-3,14-16-9-10-27-23(16)31)29-24(32)17(11-15-7-8-15)12-21(30)20-13-18-19(28-20)5-4-6-22(18)34-2;1-25(24(26)33,13-15-8-9-27-22(15)31)29-23(32)16(10-14-6-7-14)11-20(30)19-12-17-18(28-19)4-3-5-21(17)34-2;2*1-25(14-26,13-16-8-9-27-23(16)31)29-24(32)17(10-15-6-7-15)11-21(30)20-12-18-19(28-20)4-3-5-22(18)33-2;1-15(14(21)22-2,8-10-5-6-17-12(10)19)18-13(20)11(16)7-9-3-4-9;1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13;1-3-2;/h4-6,13,15-17,28H,7-12,14H2,1-3H3,(H,27,31)(H,29,32);3-5,12,14-16,28H,6-11,13H2,1-2H3,(H2,26,33)(H,27,31)(H,29,32);2*3-5,12,15-17,28H,6-11,13H2,1-2H3,(H,27,31)(H,29,32);9-11H,3-8,16H2,1-2H3,(H,17,19)(H,18,20);2-5,11H,1H3,(H,12,13);1H3;1H/t16?,17-,26+;15?,16-,25+;2*16?,17-,25+;10?,11-,15-;;;/m11110.../s1
InChIKeyJNSTURFLPMTCEI-MCMUNZCHSA-N
MW2458.33 g/mol
LogP14.19
Rot. Bonds51

About (2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride

(2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride (PubChem CID 163461415) has the molecular formula C127H163ClFN19O26S and a molecular weight of 2458.33 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride
PubChem CID163461415
Molecular FormulaC127H163ClFN19O26S
Molecular Weight2458.33 g/mol
Exact Mass2456.14
IUPAC Name(2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride
SMILESCOC(=O)[C@](C)(CC1CCNC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(OC)cccc2[nH]1)CC1CC1.COC(=O)[C@](C)(CC1CCNC1=O)NC(=O)[C@@H](N)CC1CC1.COc1cccc2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@@](C)(CC3CCNC3=O)C(N)=O)cc12.COc1cccc2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@](C)(C#N)CC3CCNC3=O)cc12.COc1cccc2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@](C)(C#N)CC3CCNC3=O)cc12.COc1cccc2[nH]c(C(=O)O)cc12.CSF.Cl
InChIInChI=1S/C26H33N3O6.C25H32N4O5.2C25H30N4O4.C15H25N3O4.C10H9NO3.CH3FS.ClH/c1-26(25(33)35-3,14-16-9-10-27-23(16)31)29-24(32)17(11-15-7-8-15)12-21(30)20-13-18-19(28-20)5-4-6-22(18)34-2;1-25(24(26)33,13-15-8-9-27-22(15)31)29-23(32)16(10-14-6-7-14)11-20(30)19-12-17-18(28-19)4-3-5-21(17)34-2;2*1-25(14-26,13-16-8-9-27-23(16)31)29-24(32)17(10-15-6-7-15)11-21(30)20-12-18-19(28-20)4-3-5-22(18)33-2;1-15(14(21)22-2,8-10-5-6-17-12(10)19)18-13(20)11(16)7-9-3-4-9;1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13;1-3-2;/h4-6,13,15-17,28H,7-12,14H2,1-3H3,(H,27,31)(H,29,32);3-5,12,14-16,28H,6-11,13H2,1-2H3,(H2,26,33)(H,27,31)(H,29,32);2*3-5,12,15-17,28H,6-11,13H2,1-2H3,(H,27,31)(H,29,32);9-11H,3-8,16H2,1-2H3,(H,17,19)(H,18,20);2-5,11H,1H3,(H,12,13);1H3;1H/t16?,17-,26+;15?,16-,25+;2*16?,17-,25+;10?,11-,15-;;;/m11110.../s1
InChIKeyJNSTURFLPMTCEI-MCMUNZCHSA-N
XLogP14.19
TPSA690.97 Ų
H-Bond Donors18
H-Bond Acceptors29
Rotatable Bonds51
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002458.33
LogP ≤ 514.19
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1029

Analyze (2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride with MolForge

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Related Compounds

(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[(2,2-difluorocyclopropyl)methyl]-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-[(2,2-difluorocyclopropyl)methyl]-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide)
CID 163469145
(3S,6S)-N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;isocyanomethylbenzene
CID 163632724
lithium;bis((2S)-2-amino-3-(2,2-difluorocyclopropyl)propanoic acid);(2R)-2-[(2,2-difluorocyclopropyl)methyl]-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2R)-2-[(2,2-difluorocyclopropyl)methyl]-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoate;methyl (2S)-2-[[(2R)-2-[(2,2-difluorocyclopropyl)methyl]-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate
CID 163655477
tert-butyl (3S,6S)-2,2-difluoro-6-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate;(3S,6S)-2,2-difluoro-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(3S,6S)-2,2-difluorospiro[2.4]heptane-6-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(1S)-2-oxocyclohexyl]propanoate
CID 163703185
tert-butyl 2,2-difluoro-7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;2,2-difluoro-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-7-carboxylic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-aminochloranuidyl-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[(2,2-difluoro-6-azaspiro[3.4]octane-7-carbonyl)amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2,2-difluoro-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate
CID 163712177
zinc;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-7-(trifluoromethyl)-1H-indole-2-carboxamide;2-hydroperoxy-2-methylpropane;2,2,2-trifluoroacetic acid;bis(trifluoro(sulfinato)methane)
CID 163717729
lithium;(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanenitrile;N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-difluoro-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]pentanamide;4,4-difluoro-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]pentanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl 2-amino-4,4-difluoropentanoate;methyl 4,4-difluoro-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]pentanoate;hydroxide;hydrate;dihydrochloride
CID 163727914
(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid
CID 163760242
tert-butyl (2S,4S)-4-methoxy-2-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate;4-methoxy-1H-indole-2-carboxylic acid;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2S,4S)-4-methoxy-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2S,4S)-4-methoxy-4-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydrochloride
CID 163760319
(2S,4S)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-methoxy-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4-methoxy-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 163783467
[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[2,2,4-tri(propan-2-yl)pyrrolidin-1-yl]methanone
CID 163997207
(3S,6S)-2,2-difluoro-N-[(2S)-1-hydroxy-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 164050460

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride?
The IUPAC name of (2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride (CID 163461415) is (2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride.
What is the SMILES notation for (2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride?
The canonical SMILES for (2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride is COC(=O)[C@](C)(CC1CCNC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(OC)cccc2[nH]1)CC1CC1.COC(=O)[C@](C)(CC1CCNC1=O)NC(=O)[C@@H](N)CC1CC1.COc1cccc2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@@](C)(CC3CCNC3=O)C(N)=O)cc12.COc1cccc2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@](C)(C#N)CC3CCNC3=O)cc12.COc1cccc2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@](C)(C#N)CC3CCNC3=O)cc12.COc1cccc2[nH]c(C(=O)O)cc12.CSF.Cl.
What is the InChIKey of (2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride?
The InChIKey is JNSTURFLPMTCEI-MCMUNZCHSA-N. The full InChI is InChI=1S/C26H33N3O6.C25H32N4O5.2C25H30N4O4.C15H25N3O4.C10H9NO3.CH3FS.ClH/c1-26(25(33)35-3,14-16-9-10-27-23(16)31)29-24(32)17(11-15-7-8-15)12-21(30)20-13-18-19(28-20)5-4-6-22(18)34-2;1-25(24(26)33,13-15-8-9-27-22(15)31)29-23(32)16(10-14-6-7-14)11-20(30)19-12-17-18(28-19)4-3-5-21(17)34-2;2*1-25(14-26,13-16-8-9-27-23(16)31)29-24(32)17(10-15-6-7-15)11-21(30)20-12-18-19(28-20)4-3-5-22(18)33-2;1-15(14(21)22-2,8-10-5-6-17-12(10)19)18-13(20)11(16)7-9-3-4-9;1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13;1-3-2;/h4-6,13,15-17,28H,7-12,14H2,1-3H3,(H,27,31)(H,29,32);3-5,12,14-16,28H,6-11,13H2,1-2H3,(H2,26,33)(H,27,31)(H,29,32);2*3-5,12,15-17,28H,6-11,13H2,1-2H3,(H,27,31)(H,29,32);9-11H,3-8,16H2,1-2H3,(H,17,19)(H,18,20);2-5,11H,1H3,(H,12,13);1H3;1H/t16?,17-,26+;15?,16-,25+;2*16?,17-,25+;10?,11-,15-;;;/m11110.../s1.
What are the key properties of (2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride?
(2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride has a molecular weight of 2458.33 g/mol, XLogP of 14.19, 51 rotatable bonds, 18 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-amino-2-methyl-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(2S)-2-cyano-1-(2-oxopyrrolidin-3-yl)propan-2-yl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide);4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride is sourced from PubChem (CID 163461415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).