(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

C138H190N24O17 — CID 157174425

IUPAC(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1cccc(O)c1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn(C)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cnn(C)c1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1onc(C)c1-c1ccccc1)C1CCCCC1
InChIInChI=1S/2C28H39N5O3.C28H38N4O4.C27H37N5O4.C27H37N5O3/c1-4-19(2)26(34)31-24(20-12-7-5-8-13-20)28(36)33-17-11-16-23(33)27(35)30-22-18-29-32(3)25(22)21-14-9-6-10-15-21;1-4-19(2)26(34)30-25(21-14-9-6-10-15-21)28(36)33-17-11-16-23(33)27(35)29-22-18-32(3)31-24(22)20-12-7-5-8-13-20;1-4-18(2)25(33)29-24(21-14-9-6-10-15-21)28(35)32-17-11-16-22(32)26(34)30-27-23(19(3)31-36-27)20-12-7-5-8-13-20;1-3-18(2)25(34)30-24(19-9-5-4-6-10-19)27(36)31-16-8-13-22(31)26(35)29-23-14-15-28-32(23)20-11-7-12-21(33)17-20;1-3-18(2)25(33)30-24(20-13-8-5-9-14-20)27(35)32-16-10-15-22(32)26(34)29-21-17-28-31-23(21)19-11-6-4-7-12-19/h6,9-10,14-15,18-20,23-24H,4-5,7-8,11-13,16-17H2,1-3H3,(H,30,35)(H,31,34);5,7-8,12-13,18-19,21,23,25H,4,6,9-11,14-17H2,1-3H3,(H,29,35)(H,30,34);5,7-8,12-13,18,21-22,24H,4,6,9-11,14-17H2,1-3H3,(H,29,33)(H,30,34);7,11-12,14-15,17-19,22,24,33H,3-6,8-10,13,16H2,1-2H3,(H,29,35)(H,30,34);4,6-7,11-12,17-18,20,22,24H,3,5,8-10,13-16H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t19-,23+,24+;19-,23+,25+;3*18-,22+,24+/m11111/s1
InChIKeyANVODZIJCDQOHZ-QPKUIGFKSA-N
MW2457.19 g/mol
LogP20.68
Rot. Bonds40

About (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 157174425) has the molecular formula C138H190N24O17 and a molecular weight of 2457.19 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID157174425
Molecular FormulaC138H190N24O17
Molecular Weight2457.19 g/mol
Exact Mass2455.47
IUPAC Name(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1cccc(O)c1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn(C)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cnn(C)c1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1onc(C)c1-c1ccccc1)C1CCCCC1
InChIInChI=1S/2C28H39N5O3.C28H38N4O4.C27H37N5O4.C27H37N5O3/c1-4-19(2)26(34)31-24(20-12-7-5-8-13-20)28(36)33-17-11-16-23(33)27(35)30-22-18-29-32(3)25(22)21-14-9-6-10-15-21;1-4-19(2)26(34)30-25(21-14-9-6-10-15-21)28(36)33-17-11-16-23(33)27(35)29-22-18-32(3)31-24(22)20-12-7-5-8-13-20;1-4-18(2)25(33)29-24(21-14-9-6-10-15-21)28(35)32-17-11-16-22(32)26(34)30-27-23(19(3)31-36-27)20-12-7-5-8-13-20;1-3-18(2)25(34)30-24(19-9-5-4-6-10-19)27(36)31-16-8-13-22(31)26(35)29-23-14-15-28-32(23)20-11-7-12-21(33)17-20;1-3-18(2)25(33)30-24(20-13-8-5-9-14-20)27(35)32-16-10-15-22(32)26(34)29-21-17-28-31-23(21)19-11-6-4-7-12-19/h6,9-10,14-15,18-20,23-24H,4-5,7-8,11-13,16-17H2,1-3H3,(H,30,35)(H,31,34);5,7-8,12-13,18-19,21,23,25H,4,6,9-11,14-17H2,1-3H3,(H,29,35)(H,30,34);5,7-8,12-13,18,21-22,24H,4,6,9-11,14-17H2,1-3H3,(H,29,33)(H,30,34);7,11-12,14-15,17-19,22,24,33H,3-6,8-10,13,16H2,1-2H3,(H,29,35)(H,30,34);4,6-7,11-12,17-18,20,22,24H,3,5,8-10,13-16H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t19-,23+,24+;19-,23+,25+;3*18-,22+,24+/m11111/s1
InChIKeyANVODZIJCDQOHZ-QPKUIGFKSA-N
XLogP20.68
TPSA520.95 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002457.19
LogP ≤ 520.68
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (CID 157174425) is (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1cccc(O)c1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn(C)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cnn(C)c1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1onc(C)c1-c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is ANVODZIJCDQOHZ-QPKUIGFKSA-N. The full InChI is InChI=1S/2C28H39N5O3.C28H38N4O4.C27H37N5O4.C27H37N5O3/c1-4-19(2)26(34)31-24(20-12-7-5-8-13-20)28(36)33-17-11-16-23(33)27(35)30-22-18-29-32(3)25(22)21-14-9-6-10-15-21;1-4-19(2)26(34)30-25(21-14-9-6-10-15-21)28(36)33-17-11-16-23(33)27(35)29-22-18-32(3)31-24(22)20-12-7-5-8-13-20;1-4-18(2)25(33)29-24(21-14-9-6-10-15-21)28(35)32-17-11-16-22(32)26(34)30-27-23(19(3)31-36-27)20-12-7-5-8-13-20;1-3-18(2)25(34)30-24(19-9-5-4-6-10-19)27(36)31-16-8-13-22(31)26(35)29-23-14-15-28-32(23)20-11-7-12-21(33)17-20;1-3-18(2)25(33)30-24(20-13-8-5-9-14-20)27(35)32-16-10-15-22(32)26(34)29-21-17-28-31-23(21)19-11-6-4-7-12-19/h6,9-10,14-15,18-20,23-24H,4-5,7-8,11-13,16-17H2,1-3H3,(H,30,35)(H,31,34);5,7-8,12-13,18-19,21,23,25H,4,6,9-11,14-17H2,1-3H3,(H,29,35)(H,30,34);5,7-8,12-13,18,21-22,24H,4,6,9-11,14-17H2,1-3H3,(H,29,33)(H,30,34);7,11-12,14-15,17-19,22,24,33H,3-6,8-10,13,16H2,1-2H3,(H,29,35)(H,30,34);4,6-7,11-12,17-18,20,22,24H,3,5,8-10,13-16H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t19-,23+,24+;19-,23+,25+;3*18-,22+,24+/m11111/s1.
What are the key properties of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 2457.19 g/mol, XLogP of 20.68, 40 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(3-hydroxyphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(1-methyl-5-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-1H-pyrazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 157174425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).