ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide

C143H179N21O17S5 — CID 160998834

IUPACethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide
SMILESCCOC(=O)c1cc(-c2csc([C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)CC)C3CCOCC3)n2)c2ccccc2n1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cn(C)c(=O)c3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)c3ccccc23)cs1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C)nc3ccccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)c3ccccc23)cs1)C(C)(C)O
InChIInChI=1S/C31H38N4O5S.C29H36N4O4S.C28H35N5O3S.C28H36N4O2S.C27H34N4O3S/c1-4-19(3)28(36)34-27(20-12-15-39-16-13-20)30(37)35-14-8-11-26(35)29-33-25(18-41-29)22-17-24(31(38)40-5-2)32-23-10-7-6-9-21(22)23;1-4-18(2)26(34)31-25(19-11-14-37-15-12-19)29(36)33-13-7-10-24(33)27-30-23(17-38-27)22-16-32(3)28(35)21-9-6-5-8-20(21)22;1-17-15-21(20-7-4-5-8-22(20)30-17)23-16-37-27(31-23)24-9-6-12-33(24)28(35)25(19-10-13-36-14-11-19)32-26(34)18(2)29-3;1-6-17(2)25(31-26(33)19(4)29-5)28(34)32-15-9-12-24(32)27-30-23(16-35-27)22-14-13-18(3)20-10-7-8-11-21(20)22;1-16-12-13-20(19-10-7-6-9-18(16)19)21-15-35-25(29-21)22-11-8-14-31(22)26(33)23(27(3,4)34)30-24(32)17(2)28-5/h6-7,9-10,17-20,26-27H,4-5,8,11-16H2,1-3H3,(H,34,36);5-6,8-9,16-19,24-25H,4,7,10-15H2,1-3H3,(H,31,34);4-5,7-8,15-16,18-19,24-25,29H,6,9-14H2,1-3H3,(H,32,34);7-8,10-11,13-14,16-17,19,24-25,29H,6,9,12,15H2,1-5H3,(H,31,33);6-7,9-10,12-13,15,17,22-23,28,34H,8,11,14H2,1-5H3,(H,30,32)/t19-,26+,27+;18-,24+,25+;18-,24-,25-;17-,19+,24+,25+;17-,22-,23+/m11010/s1
InChIKeyTVPDYZMJBIYIKO-SMRLFWFNSA-N
MW2624.47 g/mol
LogP22.16
Rot. Bonds38

About ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide

ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide (PubChem CID 160998834) has the molecular formula C143H179N21O17S5 and a molecular weight of 2624.47 g/mol. Its IUPAC name is ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide.

Molecular Properties

Compound Nameethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide
PubChem CID160998834
Molecular FormulaC143H179N21O17S5
Molecular Weight2624.47 g/mol
Exact Mass2622.24
IUPAC Nameethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide
SMILESCCOC(=O)c1cc(-c2csc([C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)CC)C3CCOCC3)n2)c2ccccc2n1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cn(C)c(=O)c3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)c3ccccc23)cs1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C)nc3ccccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)c3ccccc23)cs1)C(C)(C)O
InChIInChI=1S/C31H38N4O5S.C29H36N4O4S.C28H35N5O3S.C28H36N4O2S.C27H34N4O3S/c1-4-19(3)28(36)34-27(20-12-15-39-16-13-20)30(37)35-14-8-11-26(35)29-33-25(18-41-29)22-17-24(31(38)40-5-2)32-23-10-7-6-9-21(22)23;1-4-18(2)26(34)31-25(19-11-14-37-15-12-19)29(36)33-13-7-10-24(33)27-30-23(17-38-27)22-16-32(3)28(35)21-9-6-5-8-20(21)22;1-17-15-21(20-7-4-5-8-22(20)30-17)23-16-37-27(31-23)24-9-6-12-33(24)28(35)25(19-10-13-36-14-11-19)32-26(34)18(2)29-3;1-6-17(2)25(31-26(33)19(4)29-5)28(34)32-15-9-12-24(32)27-30-23(16-35-27)22-14-13-18(3)20-10-7-8-11-21(20)22;1-16-12-13-20(19-10-7-6-9-18(16)19)21-15-35-25(29-21)22-11-8-14-31(22)26(33)23(27(3,4)34)30-24(32)17(2)28-5/h6-7,9-10,17-20,26-27H,4-5,8,11-16H2,1-3H3,(H,34,36);5-6,8-9,16-19,24-25H,4,7,10-15H2,1-3H3,(H,31,34);4-5,7-8,15-16,18-19,24-25,29H,6,9-14H2,1-3H3,(H,32,34);7-8,10-11,13-14,16-17,19,24-25,29H,6,9,12,15H2,1-5H3,(H,31,33);6-7,9-10,12-13,15,17,22-23,28,34H,8,11,14H2,1-5H3,(H,30,32)/t19-,26+,27+;18-,24+,25+;18-,24-,25-;17-,19+,24+,25+;17-,22-,23+/m11010/s1
InChIKeyTVPDYZMJBIYIKO-SMRLFWFNSA-N
XLogP22.16
TPSA469.59 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002624.47
LogP ≤ 522.16
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide with MolForge

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Related Compounds

2-[2-[[2-[(1S,18S,21Z,28S)-21-ethylidene-18-[(1R)-1-hydroxyethyl]-40-methyl-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53,54,55-decazanonacyclo[26.16.6.12,5.112,15.122,25.138,41.147,50.06,11.034,39]pentapentaconta-2(55),4,6(11),7,9,12(54),14,22(53),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoic acid
CID 168285477
(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
CID 159994522
(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide;4-[2-[1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]naphthalene-1-carboxylic acid
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(2S)-N-[(1S)-2-[(2S)-2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide;4-[2-[(2S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]naphthalene-1-carboxylic acid
CID 160199400
2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]naphthalene-1-carboxylic acid
CID 157100525
2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-methoxycarbonyl-7-methylindol-1-yl]acetic acid;3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-7-methyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-7-methyl-1H-indole-6-carboxylate
CID 157108995
ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;4-[2-[(2S)-1-[2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylic acid
CID 157157636
ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;4-[2-[(2S)-1-[(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylic acid
CID 157157637
CID 157215913
CID 157215913
4-[2-[1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]naphthalene-1-carboxylic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[2-[4-[4-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
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4-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]naphthalene-1-carboxylic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[4-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
CID 157236891
(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 157298628

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?
The IUPAC name of ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide (CID 160998834) is ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide.
What is the SMILES notation for ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?
The canonical SMILES for ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide is CCOC(=O)c1cc(-c2csc([C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)CC)C3CCOCC3)n2)c2ccccc2n1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cn(C)c(=O)c3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)c3ccccc23)cs1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C)nc3ccccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)c3ccccc23)cs1)C(C)(C)O.
What is the InChIKey of ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?
The InChIKey is TVPDYZMJBIYIKO-SMRLFWFNSA-N. The full InChI is InChI=1S/C31H38N4O5S.C29H36N4O4S.C28H35N5O3S.C28H36N4O2S.C27H34N4O3S/c1-4-19(3)28(36)34-27(20-12-15-39-16-13-20)30(37)35-14-8-11-26(35)29-33-25(18-41-29)22-17-24(31(38)40-5-2)32-23-10-7-6-9-21(22)23;1-4-18(2)26(34)31-25(19-11-14-37-15-12-19)29(36)33-13-7-10-24(33)27-30-23(17-38-27)22-16-32(3)28(35)21-9-6-5-8-20(21)22;1-17-15-21(20-7-4-5-8-22(20)30-17)23-16-37-27(31-23)24-9-6-12-33(24)28(35)25(19-10-13-36-14-11-19)32-26(34)18(2)29-3;1-6-17(2)25(31-26(33)19(4)29-5)28(34)32-15-9-12-24(32)27-30-23(16-35-27)22-14-13-18(3)20-10-7-8-11-21(20)22;1-16-12-13-20(19-10-7-6-9-18(16)19)21-15-35-25(29-21)22-11-8-14-31(22)26(33)23(27(3,4)34)30-24(32)17(2)28-5/h6-7,9-10,17-20,26-27H,4-5,8,11-16H2,1-3H3,(H,34,36);5-6,8-9,16-19,24-25H,4,7,10-15H2,1-3H3,(H,31,34);4-5,7-8,15-16,18-19,24-25,29H,6,9-14H2,1-3H3,(H,32,34);7-8,10-11,13-14,16-17,19,24-25,29H,6,9,12,15H2,1-5H3,(H,31,33);6-7,9-10,12-13,15,17,22-23,28,34H,8,11,14H2,1-5H3,(H,30,32)/t19-,26+,27+;18-,24+,25+;18-,24-,25-;17-,19+,24+,25+;17-,22-,23+/m11010/s1.
What are the key properties of ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?
ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide has a molecular weight of 2624.47 g/mol, XLogP of 22.16, 38 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]quinoline-2-carboxylate;(2S)-N-[(2S)-3-hydroxy-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-3-methyl-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide is sourced from PubChem (CID 160998834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).