(2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide)

C97H134N24O12S — CID 157201852

IUPAC(2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide)
SMILESCC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)Nc1nc(N)c(-c2ccccc2)s1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1ccccc1)C1CCCCC1.Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)n(-c2ccccc2)n1
InChIInChI=1S/2C26H36N6O3.C23H32N6O3.C22H30N6O3S/c2*1-18(27-2)24(33)30-23(19-10-5-3-6-11-19)26(35)31-17-9-14-21(31)25(34)29-22-15-16-28-32(22)20-12-7-4-8-13-20;1-14(2)20(26-21(30)16(4)24)23(32)28-12-8-11-18(28)22(31)25-19-13-15(3)27-29(19)17-9-6-5-7-10-17;1-12(2)16(25-19(29)13(3)23)21(31)28-11-7-10-15(28)20(30)27-22-26-18(24)17(32-22)14-8-5-4-6-9-14/h2*4,7-8,12-13,15-16,18-19,21,23,27H,3,5-6,9-11,14,17H2,1-2H3,(H,29,34)(H,30,33);5-7,9-10,13-14,16,18,20H,8,11-12,24H2,1-4H3,(H,25,31)(H,26,30);4-6,8-9,12-13,15-16H,7,10-11,23-24H2,1-3H3,(H,25,29)(H,26,27,30)/t2*18-,21-,23-;16-,18-,20-;13-,15-,16-/m0000/s1
InChIKeyAQWSRWUQHADFBH-ZVDYROKWSA-N
MW1860.36 g/mol
LogP8.36
Rot. Bonds30

About (2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide)

(2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide) (PubChem CID 157201852) has the molecular formula C97H134N24O12S and a molecular weight of 1860.36 g/mol. Its IUPAC name is (2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide).

Molecular Properties

Compound Name(2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide)
PubChem CID157201852
Molecular FormulaC97H134N24O12S
Molecular Weight1860.36 g/mol
Exact Mass1859.03
IUPAC Name(2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide)
SMILESCC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)Nc1nc(N)c(-c2ccccc2)s1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1ccccc1)C1CCCCC1.Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)n(-c2ccccc2)n1
InChIInChI=1S/2C26H36N6O3.C23H32N6O3.C22H30N6O3S/c2*1-18(27-2)24(33)30-23(19-10-5-3-6-11-19)26(35)31-17-9-14-21(31)25(34)29-22-15-16-28-32(22)20-12-7-4-8-13-20;1-14(2)20(26-21(30)16(4)24)23(32)28-12-8-11-18(28)22(31)25-19-13-15(3)27-29(19)17-9-6-5-7-10-17;1-12(2)16(25-19(29)13(3)23)21(31)28-11-7-10-15(28)20(30)27-22-26-18(24)17(32-22)14-8-5-4-6-9-14/h2*4,7-8,12-13,15-16,18-19,21,23,27H,3,5-6,9-11,14,17H2,1-2H3,(H,29,34)(H,30,33);5-7,9-10,13-14,16,18,20H,8,11-12,24H2,1-4H3,(H,25,31)(H,26,30);4-6,8-9,12-13,15-16H,7,10-11,23-24H2,1-3H3,(H,25,29)(H,26,27,30)/t2*18-,21-,23-;16-,18-,20-;13-,15-,16-/m0000/s1
InChIKeyAQWSRWUQHADFBH-ZVDYROKWSA-N
XLogP8.36
TPSA482.51 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001860.36
LogP ≤ 58.36
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze (2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide) with MolForge

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Related Compounds

Cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide
CID 87398175
2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 87613170
Cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;2-methyl-1-[4-[5-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]pyrazol-1-yl]propan-1-one
CID 157641720
(3R,9aR)-6-[[(2S)-2-(methylamino)propanoyl]amino]-N-(5-methyl-2-phenylpyrazol-3-yl)-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(3R,9aS)-6-[[(2S)-2-(methylamino)propanoyl]amino]-N-(5-methyl-2-phenylpyrazol-3-yl)-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(2S)-N-(2-amino-4-phenyl-1,3-thiazol-5-yl)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-N-(2-amino-5-phenyl-1,3-thiazol-4-yl)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[2-(2,2-dimethylpropanoylamino)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide
CID 157673548
(2S)-N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyltetrazol-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,2,5-thiadiazol-3-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenylthiadiazol-4-yl)pyrrolidine-2-carboxamide
CID 158030206
(2S)-2-amino-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-phenylpropanamide;(2S)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 158157224
(3R,9aS)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-N-(4-phenylthiadiazol-5-yl)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;(4R)-3-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,2-thiazol-5-yl)-1,3-thiazolidine-4-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-pyridin-2-yl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
CID 158286185
(3R,9aR)-6-[[(2S)-2-(methylamino)propanoyl]amino]-N-(5-methyl-2-phenylpyrazol-3-yl)-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(3R,9aS)-6-[[(2S)-2-(methylamino)propanoyl]amino]-N-(5-methyl-2-phenylpyrazol-3-yl)-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(2S)-N-(2-amino-4-phenyl-1,3-thiazol-5-yl)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[2-(2,2-dimethylpropanoylamino)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide
CID 158703312
(3R,9aR)-6-[[(2R)-2-methylbutanoyl]amino]-N-(5-methyl-2-phenylpyrazol-3-yl)-2,3,5,6,7,8,9,9a-octahydro-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(3R,9aS)-6-[[(2R)-2-methylbutanoyl]amino]-N-(5-methyl-2-phenylpyrazol-3-yl)-2,3,5,6,7,8,9,9a-octahydro-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(2S)-N-(2-amino-4-phenyl-1,3-thiazol-5-yl)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-N-(2-amino-5-phenyl-1,3-thiazol-4-yl)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2,2-dimethylpropanoylamino)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide
CID 158941410
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 158992644
(2S)-2-amino-3-(4-fluorophenyl)-N-[3-[2-(methylamino)-4-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propanamide;(2S)-3-(4-fluorophenyl)-N-[3-[2-(methylamino)-4-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 159495630
(3R,9aS)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-N-(4-phenylthiadiazol-5-yl)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide);(4R)-3-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 159772603

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide)?
The IUPAC name of (2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide) (CID 157201852) is (2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide).
What is the SMILES notation for (2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide)?
The canonical SMILES for (2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide) is CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)Nc1nc(N)c(-c2ccccc2)s1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1ccccc1)C1CCCCC1.Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)n(-c2ccccc2)n1.
What is the InChIKey of (2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide)?
The InChIKey is AQWSRWUQHADFBH-ZVDYROKWSA-N. The full InChI is InChI=1S/2C26H36N6O3.C23H32N6O3.C22H30N6O3S/c2*1-18(27-2)24(33)30-23(19-10-5-3-6-11-19)26(35)31-17-9-14-21(31)25(34)29-22-15-16-28-32(22)20-12-7-4-8-13-20;1-14(2)20(26-21(30)16(4)24)23(32)28-12-8-11-18(28)22(31)25-19-13-15(3)27-29(19)17-9-6-5-7-10-17;1-12(2)16(25-19(29)13(3)23)21(31)28-11-7-10-15(28)20(30)27-22-26-18(24)17(32-22)14-8-5-4-6-9-14/h2*4,7-8,12-13,15-16,18-19,21,23,27H,3,5-6,9-11,14,17H2,1-2H3,(H,29,34)(H,30,33);5-7,9-10,13-14,16,18,20H,8,11-12,24H2,1-4H3,(H,25,31)(H,26,30);4-6,8-9,12-13,15-16H,7,10-11,23-24H2,1-3H3,(H,25,29)(H,26,27,30)/t2*18-,21-,23-;16-,18-,20-;13-,15-,16-/m0000/s1.
What are the key properties of (2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide)?
(2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide) has a molecular weight of 1860.36 g/mol, XLogP of 8.36, 30 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide) is sourced from PubChem (CID 157201852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).