(2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide

C127H164F6N26O17S5 — CID 161106197

IUPAC(2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
SMILESCC[C@@H](C)C(=O)N[C@@H](CC(F)(F)F)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1.CC[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)[C@@H](C)OC(C)(C)C.CC[C@@H](C)C(=O)N[C@H](CC(F)(F)F)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)Cc1snnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C33H41N5O4S.C26H37N5O4S.C24H34N6O3S.2C22H26F3N5O3S/c1-22(34-2)32(40)35-31(25-16-10-5-11-17-25)33(41)38-20-26(42-21-23-12-6-3-7-13-23)18-27(38)28(39)19-29-30(36-37-43-29)24-14-8-4-9-15-24;1-7-16(2)22(32)27-20(17(3)35-26(4,5)6)25(34)31-15-11-14-19(31)23(33)28-24-21(29-30-36-24)18-12-9-8-10-13-18;1-3-16(2)21(31)26-18(12-7-8-14-25)24(33)30-15-9-13-19(30)22(32)27-23-20(28-29-34-23)17-10-5-4-6-11-17;2*1-3-13(2)18(31)26-15(12-22(23,24)25)21(33)30-11-7-10-16(30)19(32)27-20-17(28-29-34-20)14-8-5-4-6-9-14/h3-4,6-9,12-15,22,25-27,31,34H,5,10-11,16-21H2,1-2H3,(H,35,40);8-10,12-13,16-17,19-20H,7,11,14-15H2,1-6H3,(H,27,32)(H,28,33);4-6,10-11,16,18-19H,3,7-9,12-15,25H2,1-2H3,(H,26,31)(H,27,32);2*4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3,(H,26,31)(H,27,32)/t22-,26+,27-,31-;16-,17-,19+,20+;16-,18+,19+;13-,15+,16+;13-,15-,16+/m01111/s1
InChIKeyUJBVCBWBJSHUEF-DYJGVKFXSA-N
MW2601.20 g/mol
LogP18.08
Rot. Bonds48

About (2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide (PubChem CID 161106197) has the molecular formula C127H164F6N26O17S5 and a molecular weight of 2601.20 g/mol. Its IUPAC name is (2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
PubChem CID161106197
Molecular FormulaC127H164F6N26O17S5
Molecular Weight2601.20 g/mol
Exact Mass2599.13
IUPAC Name(2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
SMILESCC[C@@H](C)C(=O)N[C@@H](CC(F)(F)F)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1.CC[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)[C@@H](C)OC(C)(C)C.CC[C@@H](C)C(=O)N[C@H](CC(F)(F)F)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)Cc1snnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C33H41N5O4S.C26H37N5O4S.C24H34N6O3S.2C22H26F3N5O3S/c1-22(34-2)32(40)35-31(25-16-10-5-11-17-25)33(41)38-20-26(42-21-23-12-6-3-7-13-23)18-27(38)28(39)19-29-30(36-37-43-29)24-14-8-4-9-15-24;1-7-16(2)22(32)27-20(17(3)35-26(4,5)6)25(34)31-15-11-14-19(31)23(33)28-24-21(29-30-36-24)18-12-9-8-10-13-18;1-3-16(2)21(31)26-18(12-7-8-14-25)24(33)30-15-9-13-19(30)22(32)27-23-20(28-29-34-23)17-10-5-4-6-11-17;2*1-3-13(2)18(31)26-15(12-22(23,24)25)21(33)30-11-7-10-16(30)19(32)27-20-17(28-29-34-20)14-8-5-4-6-9-14/h3-4,6-9,12-15,22,25-27,31,34H,5,10-11,16-21H2,1-2H3,(H,35,40);8-10,12-13,16-17,19-20H,7,11,14-15H2,1-6H3,(H,27,32)(H,28,33);4-6,10-11,16,18-19H,3,7-9,12-15,25H2,1-2H3,(H,26,31)(H,27,32);2*4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3,(H,26,31)(H,27,32)/t22-,26+,27-,31-;16-,17-,19+,20+;16-,18+,19+;13-,15+,16+;13-,15-,16+/m01111/s1
InChIKeyUJBVCBWBJSHUEF-DYJGVKFXSA-N
XLogP18.08
TPSA565.93 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds48
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002601.20
LogP ≤ 518.08
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide (CID 161106197) is (2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide is CC[C@@H](C)C(=O)N[C@@H](CC(F)(F)F)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1.CC[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)[C@@H](C)OC(C)(C)C.CC[C@@H](C)C(=O)N[C@H](CC(F)(F)F)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)Cc1snnc1-c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide?
The InChIKey is UJBVCBWBJSHUEF-DYJGVKFXSA-N. The full InChI is InChI=1S/C33H41N5O4S.C26H37N5O4S.C24H34N6O3S.2C22H26F3N5O3S/c1-22(34-2)32(40)35-31(25-16-10-5-11-17-25)33(41)38-20-26(42-21-23-12-6-3-7-13-23)18-27(38)28(39)19-29-30(36-37-43-29)24-14-8-4-9-15-24;1-7-16(2)22(32)27-20(17(3)35-26(4,5)6)25(34)31-15-11-14-19(31)23(33)28-24-21(29-30-36-24)18-12-9-8-10-13-18;1-3-16(2)21(31)26-18(12-7-8-14-25)24(33)30-15-9-13-19(30)22(32)27-23-20(28-29-34-23)17-10-5-4-6-11-17;2*1-3-13(2)18(31)26-15(12-22(23,24)25)21(33)30-11-7-10-16(30)19(32)27-20-17(28-29-34-20)14-8-5-4-6-9-14/h3-4,6-9,12-15,22,25-27,31,34H,5,10-11,16-21H2,1-2H3,(H,35,40);8-10,12-13,16-17,19-20H,7,11,14-15H2,1-6H3,(H,27,32)(H,28,33);4-6,10-11,16,18-19H,3,7-9,12-15,25H2,1-2H3,(H,26,31)(H,27,32);2*4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3,(H,26,31)(H,27,32)/t22-,26+,27-,31-;16-,17-,19+,20+;16-,18+,19+;13-,15+,16+;13-,15-,16+/m01111/s1.
What are the key properties of (2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide has a molecular weight of 2601.20 g/mol, XLogP of 18.08, 48 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-6-amino-2-[[(2R)-2-methylbutanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S,4R)-4-phenylmethoxy-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S,3R)-2-[[(2R)-2-methylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2S)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;(2S)-N-(4-phenylthiadiazol-5-yl)-1-[(2R)-4,4,4-trifluoro-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 161106197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).