2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride

C140H162ClF21N20O24 — CID 157351008

IUPAC2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCCC1C#N)Cc1cc(F)c(F)cc1F.CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCCC1C(N)=O)Cc1cc(F)c(F)cc1F.CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F.CN1CCCC1C(N)=O.Cl.N#CC1CCCN1C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)C(N)Cc1ccccc1.NC(=O)C1CCCN1C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)C(N)Cc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C29H35F3N4O5.C29H33F3N4O4.C24H27F3N4O3.C24H25F3N4O2.C24H27F3N2O5.C6H12N2O.2C2HF3O2.ClH/c1-29(2,3)41-28(40)35-23(12-17-8-5-4-6-9-17)27(39)34-19(13-18-14-21(31)22(32)16-20(18)30)15-25(37)36-11-7-10-24(36)26(33)38;1-29(2,3)40-28(39)35-25(12-18-8-5-4-6-9-18)27(38)34-20(13-19-14-23(31)24(32)16-22(19)30)15-26(37)36-11-7-10-21(36)17-33;25-17-13-19(27)18(26)11-15(17)10-16(12-22(32)31-8-4-7-21(31)23(29)33)30-24(34)20(28)9-14-5-2-1-3-6-14;25-19-13-21(27)20(26)11-16(19)10-17(12-23(32)31-8-4-7-18(31)14-28)30-24(33)22(29)9-15-5-2-1-3-6-15;1-24(2,3)34-23(33)29-20(9-14-7-5-4-6-8-14)22(32)28-16(12-21(30)31)10-15-11-18(26)19(27)13-17(15)25;1-8-4-2-3-5(8)6(7)9;2*3-2(4,5)1(6)7;/h4-6,8-9,14,16,19,23-24H,7,10-13,15H2,1-3H3,(H2,33,38)(H,34,39)(H,35,40);4-6,8-9,14,16,20-21,25H,7,10-13,15H2,1-3H3,(H,34,38)(H,35,39);1-3,5-6,11,13,16,20-21H,4,7-10,12,28H2,(H2,29,33)(H,30,34);1-3,5-6,11,13,17-18,22H,4,7-10,12,29H2,(H,30,33);4-8,11,13,16,20H,9-10,12H2,1-3H3,(H,28,32)(H,29,33)(H,30,31);5H,2-4H2,1H3,(H2,7,9);2*(H,6,7);1H/t19-,23?,24?;20-,21?,25?;16-,20?,21?;17-,18?,22?;16-,20?;;;;/m11111..../s1
InChIKeyZVTYNNOYKYIPBK-MGDZROAWSA-N
MW2943.36 g/mol
LogP16.48
Rot. Bonds46

About 2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride

2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride (PubChem CID 157351008) has the molecular formula C140H162ClF21N20O24 and a molecular weight of 2943.36 g/mol. Its IUPAC name is 2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride
PubChem CID157351008
Molecular FormulaC140H162ClF21N20O24
Molecular Weight2943.36 g/mol
Exact Mass2941.14
IUPAC Name2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCCC1C#N)Cc1cc(F)c(F)cc1F.CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCCC1C(N)=O)Cc1cc(F)c(F)cc1F.CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F.CN1CCCC1C(N)=O.Cl.N#CC1CCCN1C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)C(N)Cc1ccccc1.NC(=O)C1CCCN1C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)C(N)Cc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C29H35F3N4O5.C29H33F3N4O4.C24H27F3N4O3.C24H25F3N4O2.C24H27F3N2O5.C6H12N2O.2C2HF3O2.ClH/c1-29(2,3)41-28(40)35-23(12-17-8-5-4-6-9-17)27(39)34-19(13-18-14-21(31)22(32)16-20(18)30)15-25(37)36-11-7-10-24(36)26(33)38;1-29(2,3)40-28(39)35-25(12-18-8-5-4-6-9-18)27(38)34-20(13-19-14-23(31)24(32)16-22(19)30)15-26(37)36-11-7-10-21(36)17-33;25-17-13-19(27)18(26)11-15(17)10-16(12-22(32)31-8-4-7-21(31)23(29)33)30-24(34)20(28)9-14-5-2-1-3-6-14;25-19-13-21(27)20(26)11-16(19)10-17(12-23(32)31-8-4-7-18(31)14-28)30-24(33)22(29)9-15-5-2-1-3-6-15;1-24(2,3)34-23(33)29-20(9-14-7-5-4-6-8-14)22(32)28-16(12-21(30)31)10-15-11-18(26)19(27)13-17(15)25;1-8-4-2-3-5(8)6(7)9;2*3-2(4,5)1(6)7;/h4-6,8-9,14,16,19,23-24H,7,10-13,15H2,1-3H3,(H2,33,38)(H,34,39)(H,35,40);4-6,8-9,14,16,20-21,25H,7,10-13,15H2,1-3H3,(H,34,38)(H,35,39);1-3,5-6,11,13,16,20-21H,4,7-10,12,28H2,(H2,29,33)(H,30,34);1-3,5-6,11,13,17-18,22H,4,7-10,12,29H2,(H,30,33);4-8,11,13,16,20H,9-10,12H2,1-3H3,(H,28,32)(H,29,33)(H,30,31);5H,2-4H2,1H3,(H2,7,9);2*(H,6,7);1H/t19-,23?,24?;20-,21?,25?;16-,20?,21?;17-,18?,22?;16-,20?;;;;/m11111..../s1
InChIKeyZVTYNNOYKYIPBK-MGDZROAWSA-N
XLogP16.48
TPSA685.76 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds46
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002943.36
LogP ≤ 516.48
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride?
The IUPAC name of 2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride (CID 157351008) is 2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride.
What is the SMILES notation for 2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride?
The canonical SMILES for 2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride is CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCCC1C#N)Cc1cc(F)c(F)cc1F.CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCCC1C(N)=O)Cc1cc(F)c(F)cc1F.CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F.CN1CCCC1C(N)=O.Cl.N#CC1CCCN1C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)C(N)Cc1ccccc1.NC(=O)C1CCCN1C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)C(N)Cc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride?
The InChIKey is ZVTYNNOYKYIPBK-MGDZROAWSA-N. The full InChI is InChI=1S/C29H35F3N4O5.C29H33F3N4O4.C24H27F3N4O3.C24H25F3N4O2.C24H27F3N2O5.C6H12N2O.2C2HF3O2.ClH/c1-29(2,3)41-28(40)35-23(12-17-8-5-4-6-9-17)27(39)34-19(13-18-14-21(31)22(32)16-20(18)30)15-25(37)36-11-7-10-24(36)26(33)38;1-29(2,3)40-28(39)35-25(12-18-8-5-4-6-9-18)27(38)34-20(13-19-14-23(31)24(32)16-22(19)30)15-26(37)36-11-7-10-21(36)17-33;25-17-13-19(27)18(26)11-15(17)10-16(12-22(32)31-8-4-7-21(31)23(29)33)30-24(34)20(28)9-14-5-2-1-3-6-14;25-19-13-21(27)20(26)11-16(19)10-17(12-23(32)31-8-4-7-18(31)14-28)30-24(33)22(29)9-15-5-2-1-3-6-15;1-24(2,3)34-23(33)29-20(9-14-7-5-4-6-8-14)22(32)28-16(12-21(30)31)10-15-11-18(26)19(27)13-17(15)25;1-8-4-2-3-5(8)6(7)9;2*3-2(4,5)1(6)7;/h4-6,8-9,14,16,19,23-24H,7,10-13,15H2,1-3H3,(H2,33,38)(H,34,39)(H,35,40);4-6,8-9,14,16,20-21,25H,7,10-13,15H2,1-3H3,(H,34,38)(H,35,39);1-3,5-6,11,13,16,20-21H,4,7-10,12,28H2,(H2,29,33)(H,30,34);1-3,5-6,11,13,17-18,22H,4,7-10,12,29H2,(H,30,33);4-8,11,13,16,20H,9-10,12H2,1-3H3,(H,28,32)(H,29,33)(H,30,31);5H,2-4H2,1H3,(H2,7,9);2*(H,6,7);1H/t19-,23?,24?;20-,21?,25?;16-,20?,21?;17-,18?,22?;16-,20?;;;;/m11111..../s1.
What are the key properties of 2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride?
2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride has a molecular weight of 2943.36 g/mol, XLogP of 16.48, 46 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;1-[(3R)-3-[(2-amino-3-phenylpropanoyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidine-2-carboxamide;tert-butyl N-[1-[[(2R)-4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[1-[[(2R)-4-(2-cyanopyrrolidin-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(3R)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-(2,4,5-trifluorophenyl)butanoic acid;1-methylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid);hydrochloride is sourced from PubChem (CID 157351008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).