benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C190H234BrCl5N42O41S7 — CID 163517844

IUPACbenzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCOC(=O)C(=O)CBr.CCOC(=O)c1csc([C@H]2CCCN2)n1.CCOC(=O)c1csc([C@H]2CCCN2C(=O)OCc2ccccc2)n1.CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1.CNC(=O)[C@@H](N)CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.CNC(=O)[C@H](CCCCN=C(N)N)NC(=O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1.CNC(=O)[C@H](CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1.NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1.NC(=S)[C@H]1CCCN1C(=O)OCc1ccccc1.O=C(O)[C@H]1CCCN1C(=O)OCc1ccccc1.O=C(O)c1cn2cc(Cl)ccc2n1.O=C(O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C34H46ClN9O7S.C24H30ClN9O3S.C18H17ClN4O3S.C18H35N5O5.C18H20N2O4S.C16H13ClN4O3S.C13H16N2O3.C13H16N2O2S.C13H15NO4.C10H14N2O2S.C8H5ClN2O2.C5H7BrO3/c1-33(2,3)50-31(48)41-30(42-32(49)51-34(4,5)6)37-15-9-8-11-21(26(45)36-7)39-27(46)23-19-52-28(40-23)24-12-10-16-44(24)29(47)22-18-43-17-20(35)13-14-25(43)38-22;1-28-20(35)15(5-2-3-9-29-24(26)27)31-21(36)17-13-38-22(32-17)18-6-4-10-34(18)23(37)16-12-33-11-14(25)7-8-19(33)30-16;1-2-26-18(25)13-10-27-16(21-13)14-4-3-7-23(14)17(24)12-9-22-8-11(19)5-6-15(22)20-12;1-17(2,3)27-15(25)22-14(23-16(26)28-18(4,5)6)21-11-9-8-10-12(19)13(24)20-7;1-2-23-17(21)14-12-25-16(19-14)15-9-6-10-20(15)18(22)24-11-13-7-4-3-5-8-13;17-9-3-4-13-18-10(7-20(13)6-9)15(22)21-5-1-2-12(21)14-19-11(8-25-14)16(23)24;14-12(16)11-7-4-8-15(11)13(17)18-9-10-5-2-1-3-6-10;14-12(18)11-7-4-8-15(11)13(16)17-9-10-5-2-1-3-6-10;15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10;1-2-14-10(13)8-6-15-9(12-8)7-4-3-5-11-7;9-5-1-2-7-10-6(8(12)13)4-11(7)3-5;1-2-9-5(8)4(7)3-6/h13-14,17-19,21,24H,8-12,15-16H2,1-7H3,(H,36,45)(H,39,46)(H2,37,41,42,48,49);7-8,11-13,15,18H,2-6,9-10H2,1H3,(H,28,35)(H,31,36)(H4,26,27,29);5-6,8-10,14H,2-4,7H2,1H3;12H,8-11,19H2,1-7H3,(H,20,24)(H2,21,22,23,25,26);3-5,7-8,12,15H,2,6,9-11H2,1H3;3-4,6-8,12H,1-2,5H2,(H,23,24);1-3,5-6,11H,4,7-9H2,(H2,14,16);1-3,5-6,11H,4,7-9H2,(H2,14,18);1-3,5-6,11H,4,7-9H2,(H,15,16);6-7,11H,2-5H2,1H3;1-4H,(H,12,13);2-3H2,1H3/t21-,24+;15-,18+;14-;12-;15-;12-;3*11-;7-;;/m0010111111../s1
InChIKeyDIHCFGWMCQQOOQ-ZILIAIDCSA-N
MW4243.85 g/mol
LogP27.86
Rot. Bonds54

About benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 163517844) has the molecular formula C190H234BrCl5N42O41S7 and a molecular weight of 4243.85 g/mol. Its IUPAC name is benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namebenzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID163517844
Molecular FormulaC190H234BrCl5N42O41S7
Molecular Weight4243.85 g/mol
Exact Mass4237.32
IUPAC Namebenzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCOC(=O)C(=O)CBr.CCOC(=O)c1csc([C@H]2CCCN2)n1.CCOC(=O)c1csc([C@H]2CCCN2C(=O)OCc2ccccc2)n1.CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1.CNC(=O)[C@@H](N)CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.CNC(=O)[C@H](CCCCN=C(N)N)NC(=O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1.CNC(=O)[C@H](CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1.NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1.NC(=S)[C@H]1CCCN1C(=O)OCc1ccccc1.O=C(O)[C@H]1CCCN1C(=O)OCc1ccccc1.O=C(O)c1cn2cc(Cl)ccc2n1.O=C(O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C34H46ClN9O7S.C24H30ClN9O3S.C18H17ClN4O3S.C18H35N5O5.C18H20N2O4S.C16H13ClN4O3S.C13H16N2O3.C13H16N2O2S.C13H15NO4.C10H14N2O2S.C8H5ClN2O2.C5H7BrO3/c1-33(2,3)50-31(48)41-30(42-32(49)51-34(4,5)6)37-15-9-8-11-21(26(45)36-7)39-27(46)23-19-52-28(40-23)24-12-10-16-44(24)29(47)22-18-43-17-20(35)13-14-25(43)38-22;1-28-20(35)15(5-2-3-9-29-24(26)27)31-21(36)17-13-38-22(32-17)18-6-4-10-34(18)23(37)16-12-33-11-14(25)7-8-19(33)30-16;1-2-26-18(25)13-10-27-16(21-13)14-4-3-7-23(14)17(24)12-9-22-8-11(19)5-6-15(22)20-12;1-17(2,3)27-15(25)22-14(23-16(26)28-18(4,5)6)21-11-9-8-10-12(19)13(24)20-7;1-2-23-17(21)14-12-25-16(19-14)15-9-6-10-20(15)18(22)24-11-13-7-4-3-5-8-13;17-9-3-4-13-18-10(7-20(13)6-9)15(22)21-5-1-2-12(21)14-19-11(8-25-14)16(23)24;14-12(16)11-7-4-8-15(11)13(17)18-9-10-5-2-1-3-6-10;14-12(18)11-7-4-8-15(11)13(16)17-9-10-5-2-1-3-6-10;15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10;1-2-14-10(13)8-6-15-9(12-8)7-4-3-5-11-7;9-5-1-2-7-10-6(8(12)13)4-11(7)3-5;1-2-9-5(8)4(7)3-6/h13-14,17-19,21,24H,8-12,15-16H2,1-7H3,(H,36,45)(H,39,46)(H2,37,41,42,48,49);7-8,11-13,15,18H,2-6,9-10H2,1H3,(H,28,35)(H,31,36)(H4,26,27,29);5-6,8-10,14H,2-4,7H2,1H3;12H,8-11,19H2,1-7H3,(H,20,24)(H2,21,22,23,25,26);3-5,7-8,12,15H,2,6,9-11H2,1H3;3-4,6-8,12H,1-2,5H2,(H,23,24);1-3,5-6,11H,4,7-9H2,(H2,14,16);1-3,5-6,11H,4,7-9H2,(H2,14,18);1-3,5-6,11H,4,7-9H2,(H,15,16);6-7,11H,2-5H2,1H3;1-4H,(H,12,13);2-3H2,1H3/t21-,24+;15-,18+;14-;12-;15-;12-;3*11-;7-;;/m0010111111../s1
InChIKeyDIHCFGWMCQQOOQ-ZILIAIDCSA-N
XLogP27.86
TPSA1092.51 Ų
H-Bond Donors18
H-Bond Acceptors66
Rotatable Bonds54
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004243.85
LogP ≤ 527.86
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1066

Analyze benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 163517844) is benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is CCOC(=O)C(=O)CBr.CCOC(=O)c1csc([C@H]2CCCN2)n1.CCOC(=O)c1csc([C@H]2CCCN2C(=O)OCc2ccccc2)n1.CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1.CNC(=O)[C@@H](N)CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.CNC(=O)[C@H](CCCCN=C(N)N)NC(=O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1.CNC(=O)[C@H](CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1.NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1.NC(=S)[C@H]1CCCN1C(=O)OCc1ccccc1.O=C(O)[C@H]1CCCN1C(=O)OCc1ccccc1.O=C(O)c1cn2cc(Cl)ccc2n1.O=C(O)c1csc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1.
What is the InChIKey of benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is DIHCFGWMCQQOOQ-ZILIAIDCSA-N. The full InChI is InChI=1S/C34H46ClN9O7S.C24H30ClN9O3S.C18H17ClN4O3S.C18H35N5O5.C18H20N2O4S.C16H13ClN4O3S.C13H16N2O3.C13H16N2O2S.C13H15NO4.C10H14N2O2S.C8H5ClN2O2.C5H7BrO3/c1-33(2,3)50-31(48)41-30(42-32(49)51-34(4,5)6)37-15-9-8-11-21(26(45)36-7)39-27(46)23-19-52-28(40-23)24-12-10-16-44(24)29(47)22-18-43-17-20(35)13-14-25(43)38-22;1-28-20(35)15(5-2-3-9-29-24(26)27)31-21(36)17-13-38-22(32-17)18-6-4-10-34(18)23(37)16-12-33-11-14(25)7-8-19(33)30-16;1-2-26-18(25)13-10-27-16(21-13)14-4-3-7-23(14)17(24)12-9-22-8-11(19)5-6-15(22)20-12;1-17(2,3)27-15(25)22-14(23-16(26)28-18(4,5)6)21-11-9-8-10-12(19)13(24)20-7;1-2-23-17(21)14-12-25-16(19-14)15-9-6-10-20(15)18(22)24-11-13-7-4-3-5-8-13;17-9-3-4-13-18-10(7-20(13)6-9)15(22)21-5-1-2-12(21)14-19-11(8-25-14)16(23)24;14-12(16)11-7-4-8-15(11)13(17)18-9-10-5-2-1-3-6-10;14-12(18)11-7-4-8-15(11)13(16)17-9-10-5-2-1-3-6-10;15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10;1-2-14-10(13)8-6-15-9(12-8)7-4-3-5-11-7;9-5-1-2-7-10-6(8(12)13)4-11(7)3-5;1-2-9-5(8)4(7)3-6/h13-14,17-19,21,24H,8-12,15-16H2,1-7H3,(H,36,45)(H,39,46)(H2,37,41,42,48,49);7-8,11-13,15,18H,2-6,9-10H2,1H3,(H,28,35)(H,31,36)(H4,26,27,29);5-6,8-10,14H,2-4,7H2,1H3;12H,8-11,19H2,1-7H3,(H,20,24)(H2,21,22,23,25,26);3-5,7-8,12,15H,2,6,9-11H2,1H3;3-4,6-8,12H,1-2,5H2,(H,23,24);1-3,5-6,11H,4,7-9H2,(H2,14,16);1-3,5-6,11H,4,7-9H2,(H2,14,18);1-3,5-6,11H,4,7-9H2,(H,15,16);6-7,11H,2-5H2,1H3;1-4H,(H,12,13);2-3H2,1H3/t21-,24+;15-,18+;14-;12-;15-;12-;3*11-;7-;;/m0010111111../s1.
What are the key properties of benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 4243.85 g/mol, XLogP of 27.86, 54 rotatable bonds, 18 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N'-[(5S)-5-[[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-6-(methylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 163517844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).