(2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide

C119H157FN16O60S — CID 158811758

IUPAC(2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide
SMILESCC(C)(C)OC(=O)N[C@@H](COc1cccc(F)c1[N+](=O)[O-])C(=O)O.COc1ccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c([N+](=O)[O-])c1.COc1ccc([N+](=O)[O-])c(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1.Cc1ccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c([N+](=O)[O-])c1.Cc1ccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c([N+](=O)[O-])c1.Cc1ccc([N+](=O)[O-])c(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1.Cc1cccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1[N+](=O)[O-].Cc1cccc([N+](=O)[O-])c1OC[C@H](NC(=O)OC(C)(C)C)C(=O)O.O=S=O
InChIInChI=1S/2C15H20N2O8.5C15H20N2O7.C14H17FN2O7.O2S/c1-15(2,3)25-14(20)16-10(13(18)19)8-24-12-6-5-9(23-4)7-11(12)17(21)22;1-15(2,3)25-14(20)16-10(13(18)19)8-24-12-7-9(23-4)5-6-11(12)17(21)22;2*1-9-5-6-12(11(7-9)17(21)22)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-9-5-6-11(17(21)22)12(7-9)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-9-6-5-7-11(12(9)17(21)22)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-9-6-5-7-11(17(21)22)12(9)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-14(2,3)24-13(20)16-9(12(18)19)7-23-10-6-4-5-8(15)11(10)17(21)22;1-3-2/h2*5-7,10H,8H2,1-4H3,(H,16,20)(H,18,19);5*5-7,10H,8H2,1-4H3,(H,16,20)(H,18,19);4-6,9H,7H2,1-3H3,(H,16,20)(H,18,19);/t7*10-;9-;/m00000000./s1
InChIKeyIUTXUXKGWBDIJQ-YBVDBTOPSA-N
MW2822.68 g/mol
LogP16.64
Rot. Bonds50

About (2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide

(2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide (PubChem CID 158811758) has the molecular formula C119H157FN16O60S and a molecular weight of 2822.68 g/mol. Its IUPAC name is (2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide.

Molecular Properties

Compound Name(2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide
PubChem CID158811758
Molecular FormulaC119H157FN16O60S
Molecular Weight2822.68 g/mol
Exact Mass2820.94
IUPAC Name(2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide
SMILESCC(C)(C)OC(=O)N[C@@H](COc1cccc(F)c1[N+](=O)[O-])C(=O)O.COc1ccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c([N+](=O)[O-])c1.COc1ccc([N+](=O)[O-])c(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1.Cc1ccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c([N+](=O)[O-])c1.Cc1ccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c([N+](=O)[O-])c1.Cc1ccc([N+](=O)[O-])c(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1.Cc1cccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1[N+](=O)[O-].Cc1cccc([N+](=O)[O-])c1OC[C@H](NC(=O)OC(C)(C)C)C(=O)O.O=S=O
InChIInChI=1S/2C15H20N2O8.5C15H20N2O7.C14H17FN2O7.O2S/c1-15(2,3)25-14(20)16-10(13(18)19)8-24-12-6-5-9(23-4)7-11(12)17(21)22;1-15(2,3)25-14(20)16-10(13(18)19)8-24-12-7-9(23-4)5-6-11(12)17(21)22;2*1-9-5-6-12(11(7-9)17(21)22)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-9-5-6-11(17(21)22)12(7-9)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-9-6-5-7-11(12(9)17(21)22)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-9-6-5-7-11(17(21)22)12(9)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-14(2,3)24-13(20)16-9(12(18)19)7-23-10-6-4-5-8(15)11(10)17(21)22;1-3-2/h2*5-7,10H,8H2,1-4H3,(H,16,20)(H,18,19);5*5-7,10H,8H2,1-4H3,(H,16,20)(H,18,19);4-6,9H,7H2,1-3H3,(H,16,20)(H,18,19);/t7*10-;9-;/m00000000./s1
InChIKeyIUTXUXKGWBDIJQ-YBVDBTOPSA-N
XLogP16.64
TPSA1076.60 Ų
H-Bond Donors16
H-Bond Acceptors52
Rotatable Bonds50
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002822.68
LogP ≤ 516.64
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-(5-chloro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 67076714
(2S)-3-(2-amino-3-fluoro-5-methylphenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-amino-3-methylphenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(2-amino-4-methylphenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(2-amino-5-methylphenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide
CID 159586929
(2S)-3-(3,5-difluoro-4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 90344842
3-(2-bromo-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 77267687
(2S)-3-(3,5-difluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 118564277
(2S)-3-(3-chloro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-cyclopropyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-[5-(difluoromethoxy)-2-nitrophenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3,5-difluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-isocyano-5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 159797600
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitroquinolin-6-yl)oxypropanoic acid
CID 162467591
3-(5-methoxy-2-nitrophenoxy)-2-(propylamino)propanoic acid
CID 102703592
2-methyl-3-(3-methyl-2-nitrophenoxy)propanoic acid
CID 43538095
2-(cyclopropylamino)-3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102703444
3,3,3-trifluoro-2-[(2-methyl-6-nitrophenoxy)methyl]propanoic acid
CID 103372373
1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol
CID 110885135

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide?
The IUPAC name of (2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide (CID 158811758) is (2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide.
What is the SMILES notation for (2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide?
The canonical SMILES for (2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide is CC(C)(C)OC(=O)N[C@@H](COc1cccc(F)c1[N+](=O)[O-])C(=O)O.COc1ccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c([N+](=O)[O-])c1.COc1ccc([N+](=O)[O-])c(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1.Cc1ccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c([N+](=O)[O-])c1.Cc1ccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c([N+](=O)[O-])c1.Cc1ccc([N+](=O)[O-])c(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1.Cc1cccc(OC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1[N+](=O)[O-].Cc1cccc([N+](=O)[O-])c1OC[C@H](NC(=O)OC(C)(C)C)C(=O)O.O=S=O.
What is the InChIKey of (2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide?
The InChIKey is IUTXUXKGWBDIJQ-YBVDBTOPSA-N. The full InChI is InChI=1S/2C15H20N2O8.5C15H20N2O7.C14H17FN2O7.O2S/c1-15(2,3)25-14(20)16-10(13(18)19)8-24-12-6-5-9(23-4)7-11(12)17(21)22;1-15(2,3)25-14(20)16-10(13(18)19)8-24-12-7-9(23-4)5-6-11(12)17(21)22;2*1-9-5-6-12(11(7-9)17(21)22)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-9-5-6-11(17(21)22)12(7-9)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-9-6-5-7-11(12(9)17(21)22)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-9-6-5-7-11(17(21)22)12(9)23-8-10(13(18)19)16-14(20)24-15(2,3)4;1-14(2,3)24-13(20)16-9(12(18)19)7-23-10-6-4-5-8(15)11(10)17(21)22;1-3-2/h2*5-7,10H,8H2,1-4H3,(H,16,20)(H,18,19);5*5-7,10H,8H2,1-4H3,(H,16,20)(H,18,19);4-6,9H,7H2,1-3H3,(H,16,20)(H,18,19);/t7*10-;9-;/m00000000./s1.
What are the key properties of (2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide?
(2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide has a molecular weight of 2822.68 g/mol, XLogP of 16.64, 50 rotatable bonds, 16 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(4-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(5-methoxy-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(2-methyl-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-(3-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bis((2S)-3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);(2S)-3-(5-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfur dioxide is sourced from PubChem (CID 158811758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).