tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane

C135H181F3N8O19 — CID 158764380

IUPACtert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane
SMILESC.C.C.C=CC[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](C)c1ccccc1)C(C)(C)C.C[C@@H](NC(=O)[C@@H](NC(=O)C(C/C=C/c1ccc(Oc2ccccc2)c(F)c1)CC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1.C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(Oc2ccccc2)c(F)c1)CC(=O)O)C(C)(C)C)c1ccccc1.C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(Oc2ccccc2)c(F)c1)CC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C37H47FN2O5.C37H45FN2O5.C33H39FN2O5.C25H38N2O4.3CH4/c2*1-25(27-16-10-8-11-17-27)39-35(43)33(36(2,3)4)40-34(42)28(24-32(41)45-37(5,6)7)18-14-15-26-21-22-31(30(38)23-26)44-29-19-12-9-13-20-29;1-22(24-13-7-5-8-14-24)35-32(40)30(33(2,3)4)36-31(39)25(21-29(37)38)15-11-12-23-18-19-28(27(34)20-23)41-26-16-9-6-10-17-26;1-9-13-19(16-20(28)31-25(6,7)8)22(29)27-21(24(3,4)5)23(30)26-17(2)18-14-11-10-12-15-18;;;/h8-13,16-17,19-23,25,28,33H,14-15,18,24H2,1-7H3,(H,39,43)(H,40,42);8-17,19-23,25,28,33H,18,24H2,1-7H3,(H,39,43)(H,40,42);5-10,13-14,16-20,22,25,30H,11-12,15,21H2,1-4H3,(H,35,40)(H,36,39)(H,37,38);9-12,14-15,17,19,21H,1,13,16H2,2-8H3,(H,26,30)(H,27,29);3*1H4/b;15-14+;;;;;/t25-,28-,33-;25-,28?,33-;22-,25-,30-;17-,19-,21-;;;/m1111.../s1
InChIKeyIPBNHGQCGAKTEJ-YFQIIGNHSA-N
MW2276.96 g/mol
LogP28.14
Rot. Bonds47

About tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane

tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane (PubChem CID 158764380) has the molecular formula C135H181F3N8O19 and a molecular weight of 2276.96 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane
PubChem CID158764380
Molecular FormulaC135H181F3N8O19
Molecular Weight2276.96 g/mol
Exact Mass2275.34
IUPAC Nametert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane
SMILESC.C.C.C=CC[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](C)c1ccccc1)C(C)(C)C.C[C@@H](NC(=O)[C@@H](NC(=O)C(C/C=C/c1ccc(Oc2ccccc2)c(F)c1)CC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1.C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(Oc2ccccc2)c(F)c1)CC(=O)O)C(C)(C)C)c1ccccc1.C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(Oc2ccccc2)c(F)c1)CC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C37H47FN2O5.C37H45FN2O5.C33H39FN2O5.C25H38N2O4.3CH4/c2*1-25(27-16-10-8-11-17-27)39-35(43)33(36(2,3)4)40-34(42)28(24-32(41)45-37(5,6)7)18-14-15-26-21-22-31(30(38)23-26)44-29-19-12-9-13-20-29;1-22(24-13-7-5-8-14-24)35-32(40)30(33(2,3)4)36-31(39)25(21-29(37)38)15-11-12-23-18-19-28(27(34)20-23)41-26-16-9-6-10-17-26;1-9-13-19(16-20(28)31-25(6,7)8)22(29)27-21(24(3,4)5)23(30)26-17(2)18-14-11-10-12-15-18;;;/h8-13,16-17,19-23,25,28,33H,14-15,18,24H2,1-7H3,(H,39,43)(H,40,42);8-17,19-23,25,28,33H,18,24H2,1-7H3,(H,39,43)(H,40,42);5-10,13-14,16-20,22,25,30H,11-12,15,21H2,1-4H3,(H,35,40)(H,36,39)(H,37,38);9-12,14-15,17,19,21H,1,13,16H2,2-8H3,(H,26,30)(H,27,29);3*1H4/b;15-14+;;;;;/t25-,28-,33-;25-,28?,33-;22-,25-,30-;17-,19-,21-;;;/m1111.../s1
InChIKeyIPBNHGQCGAKTEJ-YFQIIGNHSA-N
XLogP28.14
TPSA376.69 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds47
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002276.96
LogP ≤ 528.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenylphenyl)hexanoate
CID 59875787
tert-butyl (3R)-6-(3-chloro-4-phenylphenyl)-3-[[(2S)-3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]hex-5-enoate
CID 57199630
tert-butyl 3-[[3,3-dimethyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-4-phenylphenyl)hexanoate
CID 22950109
tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylpropyl]amino]butan-2-yl]carbamoyl]-6-phenylhexanoate
CID 11038657
tert-butyl 3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1S)-1-phenylpropyl]amino]butan-2-yl]carbamoyl]-6-phenylhexanoate
CID 100918820
3-[[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-6-phenylhexanoic acid
CID 75018124
3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-[2-(3-methylphenyl)phenyl]hexanoic acid
CID 18319193
tert-butyl 3-[[(2S)-1-(9H-fluoren-9-ylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-6-phenylhexanoate
CID 100918827
tert-butyl (3R)-3-[[(2S)-1-[(2-methoxy-1-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-6-(3-methyl-4-phenylphenyl)hexanoate;(3R)-3-[[(2S)-1-[(2-methoxy-1-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-6-(3-methyl-4-phenylphenyl)hexanoic acid
CID 158556905
tert-butyl N-[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamate
CID 59875757
3-[[1-[3-(2-aminoethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid
CID 54119309
tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate
CID 167312578

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane?
The IUPAC name of tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane (CID 158764380) is tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane.
What is the SMILES notation for tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane?
The canonical SMILES for tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane is C.C.C.C=CC[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](C)c1ccccc1)C(C)(C)C.C[C@@H](NC(=O)[C@@H](NC(=O)C(C/C=C/c1ccc(Oc2ccccc2)c(F)c1)CC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1.C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(Oc2ccccc2)c(F)c1)CC(=O)O)C(C)(C)C)c1ccccc1.C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(Oc2ccccc2)c(F)c1)CC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane?
The InChIKey is IPBNHGQCGAKTEJ-YFQIIGNHSA-N. The full InChI is InChI=1S/C37H47FN2O5.C37H45FN2O5.C33H39FN2O5.C25H38N2O4.3CH4/c2*1-25(27-16-10-8-11-17-27)39-35(43)33(36(2,3)4)40-34(42)28(24-32(41)45-37(5,6)7)18-14-15-26-21-22-31(30(38)23-26)44-29-19-12-9-13-20-29;1-22(24-13-7-5-8-14-24)35-32(40)30(33(2,3)4)36-31(39)25(21-29(37)38)15-11-12-23-18-19-28(27(34)20-23)41-26-16-9-6-10-17-26;1-9-13-19(16-20(28)31-25(6,7)8)22(29)27-21(24(3,4)5)23(30)26-17(2)18-14-11-10-12-15-18;;;/h8-13,16-17,19-23,25,28,33H,14-15,18,24H2,1-7H3,(H,39,43)(H,40,42);8-17,19-23,25,28,33H,18,24H2,1-7H3,(H,39,43)(H,40,42);5-10,13-14,16-20,22,25,30H,11-12,15,21H2,1-4H3,(H,35,40)(H,36,39)(H,37,38);9-12,14-15,17,19,21H,1,13,16H2,2-8H3,(H,26,30)(H,27,29);3*1H4/b;15-14+;;;;;/t25-,28-,33-;25-,28?,33-;22-,25-,30-;17-,19-,21-;;;/m1111.../s1.
What are the key properties of tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane?
tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane has a molecular weight of 2276.96 g/mol, XLogP of 28.14, 47 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate;tert-butyl (E,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hex-5-enoate;tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]hex-5-enoate;(3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoic acid;methane is sourced from PubChem (CID 158764380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).