4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate

C122H143N7O35 — CID 159334070

IUPAC4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate
SMILESCCC(=O)N[C@H](COC(=O)/C=C/C(=O)OC)c1ccccc1.CCOC(=O)/C=C/C(=O)OC[C@@H](NC(C)=O)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)C(C)(C)C)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)C(C)C)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)C1CCCCC1)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)c1ccccc1)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C20H25NO5.C20H19NO5.C18H23NO5.C17H21NO5.2C16H19NO5.C15H17NO5/c2*1-25-18(22)12-13-19(23)26-14-17(15-8-4-2-5-9-15)21-20(24)16-10-6-3-7-11-16;1-18(2,3)17(22)19-14(13-8-6-5-7-9-13)12-24-16(21)11-10-15(20)23-4;1-12(2)17(21)18-14(13-7-5-4-6-8-13)11-23-16(20)10-9-15(19)22-3;1-3-14(18)17-13(12-7-5-4-6-8-12)11-22-16(20)10-9-15(19)21-2;1-3-21-15(19)9-10-16(20)22-11-14(17-12(2)18)13-7-5-4-6-8-13;1-11(17)16-13(12-6-4-3-5-7-12)10-21-15(19)9-8-14(18)20-2/h2,4-5,8-9,12-13,16-17H,3,6-7,10-11,14H2,1H3,(H,21,24);2-13,17H,14H2,1H3,(H,21,24);5-11,14H,12H2,1-4H3,(H,19,22);4-10,12,14H,11H2,1-3H3,(H,18,21);4-10,13H,3,11H2,1-2H3,(H,17,18);4-10,14H,3,11H2,1-2H3,(H,17,18);3-9,13H,10H2,1-2H3,(H,16,17)/b2*13-12+;11-10+;3*10-9+;9-8+/t2*17-;2*14-;13-;14-;13-/m1111111/s1
InChIKeyLFHPBPZPSFTBPR-VRUIIIMTSA-N
MW2267.50 g/mol
LogP13.25
Rot. Bonds47

About 4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate

4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate (PubChem CID 159334070) has the molecular formula C122H143N7O35 and a molecular weight of 2267.50 g/mol. Its IUPAC name is 4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate.

Molecular Properties

Compound Name4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate
PubChem CID159334070
Molecular FormulaC122H143N7O35
Molecular Weight2267.50 g/mol
Exact Mass2265.96
IUPAC Name4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate
SMILESCCC(=O)N[C@H](COC(=O)/C=C/C(=O)OC)c1ccccc1.CCOC(=O)/C=C/C(=O)OC[C@@H](NC(C)=O)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)C(C)(C)C)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)C(C)C)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)C1CCCCC1)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)c1ccccc1)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C20H25NO5.C20H19NO5.C18H23NO5.C17H21NO5.2C16H19NO5.C15H17NO5/c2*1-25-18(22)12-13-19(23)26-14-17(15-8-4-2-5-9-15)21-20(24)16-10-6-3-7-11-16;1-18(2,3)17(22)19-14(13-8-6-5-7-9-13)12-24-16(21)11-10-15(20)23-4;1-12(2)17(21)18-14(13-7-5-4-6-8-13)11-23-16(20)10-9-15(19)22-3;1-3-14(18)17-13(12-7-5-4-6-8-12)11-22-16(20)10-9-15(19)21-2;1-3-21-15(19)9-10-16(20)22-11-14(17-12(2)18)13-7-5-4-6-8-13;1-11(17)16-13(12-6-4-3-5-7-12)10-21-15(19)9-8-14(18)20-2/h2,4-5,8-9,12-13,16-17H,3,6-7,10-11,14H2,1H3,(H,21,24);2-13,17H,14H2,1H3,(H,21,24);5-11,14H,12H2,1-4H3,(H,19,22);4-10,12,14H,11H2,1-3H3,(H,18,21);4-10,13H,3,11H2,1-2H3,(H,17,18);4-10,14H,3,11H2,1-2H3,(H,17,18);3-9,13H,10H2,1-2H3,(H,16,17)/b2*13-12+;11-10+;3*10-9+;9-8+/t2*17-;2*14-;13-;14-;13-/m1111111/s1
InChIKeyLFHPBPZPSFTBPR-VRUIIIMTSA-N
XLogP13.25
TPSA571.90 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds47
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002267.50
LogP ≤ 513.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate with MolForge

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Related Compounds

1-O-(2-acetamido-2-phenylethyl) 4-O-propan-2-yl (E)-but-2-enedioate;4-O-(2-benzamido-2-phenylethyl) 1-O-ethyl (E)-but-2-enedioate;4-O-[2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;1-O-ethyl 4-O-[2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-ethyl 4-O-[2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate
CID 157167527
1-O-[(2R)-2-benzamido-2-phenylethyl] 4-O-propan-2-yl (E)-but-2-enedioate;1-O-[(2R)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 4-O-propan-2-yl (E)-but-2-enedioate;1-O-[(2R)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 4-O-propan-2-yl (E)-but-2-enedioate;1-O-[(2R)-2-(2-methylpropanoylamino)-2-phenylethyl] 4-O-propan-2-yl (E)-but-2-enedioate;1-O-[(2R)-2-phenyl-2-(propanoylamino)ethyl] 4-O-propan-2-yl (E)-but-2-enedioate
CID 161113564
4-O-[(2R)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate
CID 126492372
1-O-methyl 4-O-[(2R)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate
CID 126483243
1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate
CID 126492389
1-O-ethyl 4-O-[(2R)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate
CID 126492381
1-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] 4-O-propan-2-yl (E)-but-2-enedioate
CID 126492397
1-O-[(2R)-2-(2-methylpropanoylamino)-2-phenylethyl] 4-O-propan-2-yl (E)-but-2-enedioate
CID 126483096
tert-butyl 4-[2-(cyclohexanecarbonylamino)-2-phenylethyl]piperidine-1-carboxylate
CID 137373058
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
bis[(2S)-2-(cyclohexylsulfonylamino)-2-phenylethyl] (E)-but-2-enedioate
CID 126496956
ethyl (3S)-3-[(4,4-difluorocyclohexanecarbonyl)amino]-3-phenylpropanoate
CID 10131981

Frequently Asked Questions

What is the IUPAC name of 4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate?
The IUPAC name of 4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate (CID 159334070) is 4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate.
What is the SMILES notation for 4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate?
The canonical SMILES for 4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate is CCC(=O)N[C@H](COC(=O)/C=C/C(=O)OC)c1ccccc1.CCOC(=O)/C=C/C(=O)OC[C@@H](NC(C)=O)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)C(C)(C)C)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)C(C)C)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)C1CCCCC1)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)c1ccccc1)c1ccccc1.COC(=O)/C=C/C(=O)OC[C@@H](NC(C)=O)c1ccccc1.
What is the InChIKey of 4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate?
The InChIKey is LFHPBPZPSFTBPR-VRUIIIMTSA-N. The full InChI is InChI=1S/C20H25NO5.C20H19NO5.C18H23NO5.C17H21NO5.2C16H19NO5.C15H17NO5/c2*1-25-18(22)12-13-19(23)26-14-17(15-8-4-2-5-9-15)21-20(24)16-10-6-3-7-11-16;1-18(2,3)17(22)19-14(13-8-6-5-7-9-13)12-24-16(21)11-10-15(20)23-4;1-12(2)17(21)18-14(13-7-5-4-6-8-13)11-23-16(20)10-9-15(19)22-3;1-3-14(18)17-13(12-7-5-4-6-8-12)11-22-16(20)10-9-15(19)21-2;1-3-21-15(19)9-10-16(20)22-11-14(17-12(2)18)13-7-5-4-6-8-13;1-11(17)16-13(12-6-4-3-5-7-12)10-21-15(19)9-8-14(18)20-2/h2,4-5,8-9,12-13,16-17H,3,6-7,10-11,14H2,1H3,(H,21,24);2-13,17H,14H2,1H3,(H,21,24);5-11,14H,12H2,1-4H3,(H,19,22);4-10,12,14H,11H2,1-3H3,(H,18,21);4-10,13H,3,11H2,1-2H3,(H,17,18);4-10,14H,3,11H2,1-2H3,(H,17,18);3-9,13H,10H2,1-2H3,(H,16,17)/b2*13-12+;11-10+;3*10-9+;9-8+/t2*17-;2*14-;13-;14-;13-/m1111111/s1.
What are the key properties of 4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate?
4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate has a molecular weight of 2267.50 g/mol, XLogP of 13.25, 47 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-ethyl (E)-but-2-enedioate;4-O-[(2S)-2-acetamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-benzamido-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[(2S)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-(2-methylpropanoylamino)-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate is sourced from PubChem (CID 159334070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).