(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride

C119H142ClF8N9O16 — CID 161401242

IUPAC(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride
SMILESCCc1cccc(CN(C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)N3CCC[C@@H]3CC)c2)C(=O)OC(C)(C)C)c1.CCc1cccc(CN(C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)O)c2)C(=O)OC(C)(C)C)c1.CCc1cccc(CNC[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1.CCc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)O)c2)c1.Cl
InChIInChI=1S/C39H49F2N3O5.C33H38F2N2O6.C28H30F2N2O4.C19H24F2N2O.ClH/c1-7-26-11-9-12-27(17-26)23-43(38(48)49-39(4,5)6)24-35(45)34(20-28-18-31(40)22-32(41)19-28)42-36(46)29-15-25(3)16-30(21-29)37(47)44-14-10-13-33(44)8-2;1-6-21-8-7-9-22(12-21)18-37(32(42)43-33(3,4)5)19-29(38)28(15-23-13-26(34)17-27(35)14-23)36-30(39)24-10-20(2)11-25(16-24)31(40)41;1-3-18-5-4-6-19(9-18)15-31-16-26(33)25(12-20-10-23(29)14-24(30)11-20)32-27(34)21-7-17(2)8-22(13-21)28(35)36;1-2-13-4-3-5-14(6-13)11-23-12-19(24)18(22)9-15-7-16(20)10-17(21)8-15;/h9,11-12,15-19,21-22,33-35,45H,7-8,10,13-14,20,23-24H2,1-6H3,(H,42,46);7-14,16-17,28-29,38H,6,15,18-19H2,1-5H3,(H,36,39)(H,40,41);4-11,13-14,25-26,31,33H,3,12,15-16H2,1-2H3,(H,32,34)(H,35,36);3-8,10,18-19,23-24H,2,9,11-12,22H2,1H3;1H/t33-,34-,35+;28-,29+;25-,26+;18-,19+;/m0000./s1
InChIKeyFXJKSQAMNJRBTF-UKWGYMGDSA-N
MW2141.93 g/mol
LogP19.66
Rot. Bonds42

About (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride

(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride (PubChem CID 161401242) has the molecular formula C119H142ClF8N9O16 and a molecular weight of 2141.93 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride
PubChem CID161401242
Molecular FormulaC119H142ClF8N9O16
Molecular Weight2141.93 g/mol
Exact Mass2140.01
IUPAC Name(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride
SMILESCCc1cccc(CN(C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)N3CCC[C@@H]3CC)c2)C(=O)OC(C)(C)C)c1.CCc1cccc(CN(C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)O)c2)C(=O)OC(C)(C)C)c1.CCc1cccc(CNC[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1.CCc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)O)c2)c1.Cl
InChIInChI=1S/C39H49F2N3O5.C33H38F2N2O6.C28H30F2N2O4.C19H24F2N2O.ClH/c1-7-26-11-9-12-27(17-26)23-43(38(48)49-39(4,5)6)24-35(45)34(20-28-18-31(40)22-32(41)19-28)42-36(46)29-15-25(3)16-30(21-29)37(47)44-14-10-13-33(44)8-2;1-6-21-8-7-9-22(12-21)18-37(32(42)43-33(3,4)5)19-29(38)28(15-23-13-26(34)17-27(35)14-23)36-30(39)24-10-20(2)11-25(16-24)31(40)41;1-3-18-5-4-6-19(9-18)15-31-16-26(33)25(12-20-10-23(29)14-24(30)11-20)32-27(34)21-7-17(2)8-22(13-21)28(35)36;1-2-13-4-3-5-14(6-13)11-23-12-19(24)18(22)9-15-7-16(20)10-17(21)8-15;/h9,11-12,15-19,21-22,33-35,45H,7-8,10,13-14,20,23-24H2,1-6H3,(H,42,46);7-14,16-17,28-29,38H,6,15,18-19H2,1-5H3,(H,36,39)(H,40,41);4-11,13-14,25-26,31,33H,3,12,15-16H2,1-2H3,(H,32,34)(H,35,36);3-8,10,18-19,23-24H,2,9,11-12,22H2,1H3;1H/t33-,34-,35+;28-,29+;25-,26+;18-,19+;/m0000./s1
InChIKeyFXJKSQAMNJRBTF-UKWGYMGDSA-N
XLogP19.66
TPSA372.29 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds42
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002141.93
LogP ≤ 519.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Analyze (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride with MolForge

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Related Compounds

[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-yl] 3-[cyclohexyl(methyl)carbamoyl]-5-methylbenzoate
CID 9985888
[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-phenylphenyl)methylamino]butan-2-yl] 3-(dipropylcarbamoyl)-5-methylbenzoate
CID 10258438
N1-butyl-N3-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R)-4-hydroxy-4-phenylpyrrolidin-2-yl)propan-2-yl)-N1-methylisophthalamide
CID 11848528
3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid
CID 21085648
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 21094775
methyl 3-[[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]benzoate
CID 57487285
3-[[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid
CID 57487403
3-[[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid
CID 57487404
ethyl 2-[3-[[[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-(dipropylcarbamoyl)-5-methylbenzoyl]amino]-2-hydroxybutyl]amino]methyl]phenyl]benzoate
CID 57487749
3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]benzoic acid
CID 57511973
Methyl 3-[({(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}amino)carbonyl]benzoate
CID 57512593
N-[(1S,2R)-1-Benzyl-2-hydroxy-3-(3-trifluoromethyl-benzylamino)-propyl]-isophthalamic acid
CID 57512816

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride?
The IUPAC name of (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride (CID 161401242) is (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride.
What is the SMILES notation for (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride?
The canonical SMILES for (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride is CCc1cccc(CN(C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)N3CCC[C@@H]3CC)c2)C(=O)OC(C)(C)C)c1.CCc1cccc(CN(C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)O)c2)C(=O)OC(C)(C)C)c1.CCc1cccc(CNC[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1.CCc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)O)c2)c1.Cl.
What is the InChIKey of (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride?
The InChIKey is FXJKSQAMNJRBTF-UKWGYMGDSA-N. The full InChI is InChI=1S/C39H49F2N3O5.C33H38F2N2O6.C28H30F2N2O4.C19H24F2N2O.ClH/c1-7-26-11-9-12-27(17-26)23-43(38(48)49-39(4,5)6)24-35(45)34(20-28-18-31(40)22-32(41)19-28)42-36(46)29-15-25(3)16-30(21-29)37(47)44-14-10-13-33(44)8-2;1-6-21-8-7-9-22(12-21)18-37(32(42)43-33(3,4)5)19-29(38)28(15-23-13-26(34)17-27(35)14-23)36-30(39)24-10-20(2)11-25(16-24)31(40)41;1-3-18-5-4-6-19(9-18)15-31-16-26(33)25(12-20-10-23(29)14-24(30)11-20)32-27(34)21-7-17(2)8-22(13-21)28(35)36;1-2-13-4-3-5-14(6-13)11-23-12-19(24)18(22)9-15-7-16(20)10-17(21)8-15;/h9,11-12,15-19,21-22,33-35,45H,7-8,10,13-14,20,23-24H2,1-6H3,(H,42,46);7-14,16-17,28-29,38H,6,15,18-19H2,1-5H3,(H,36,39)(H,40,41);4-11,13-14,25-26,31,33H,3,12,15-16H2,1-2H3,(H,32,34)(H,35,36);3-8,10,18-19,23-24H,2,9,11-12,22H2,1H3;1H/t33-,34-,35+;28-,29+;25-,26+;18-,19+;/m0000./s1.
What are the key properties of (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride?
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride has a molecular weight of 2141.93 g/mol, XLogP of 19.66, 42 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;tert-butyl N-[(2R,3S)-4-(3,5-difluorophenyl)-3-[[3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]carbamate;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;3-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxybutan-2-yl]carbamoyl]-5-methylbenzoic acid;hydrochloride is sourced from PubChem (CID 161401242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).