(3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide)

C73H118B4N16O44S4 — CID 167607622

IUPAC(3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide)
SMILESCC(C)N(C1CNC1)S(=O)(=O)N1C[C@H](CCCB2OCC(C)(C(=O)O)C(=O)O2)[C@](N)(C(=O)O)C1.CC(NS(=O)(=O)N1C[C@H](CCCB2OCC(C)(C(=O)O)C(=O)O2)[C@](N)(C(=O)O)C1)C1(N)CC1.CC1(C(=O)O)COB(CCC[C@H]2CN(S(=O)(=O)N[C@@H]3C[C@H]3N)C[C@@]2(N)C(=O)O)OC1=O.CC1(C(=O)O)COB(CCC[C@H]2CN(S(=O)(=O)N[C@H]3C[C@@H]3N)C[C@@]2(N)C(=O)O)OC1=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C19H33BN4O9S.C18H31BN4O9S.2C16H27BN4O9S.4CO2/c1-12(2)24(14-7-22-8-14)34(30,31)23-9-13(19(21,10-23)16(27)28)5-4-6-20-32-11-18(3,15(25)26)17(29)33-20;1-11(17(20)5-6-17)22-33(29,30)23-8-12(18(21,9-23)14(26)27)4-3-7-19-31-10-16(2,13(24)25)15(28)32-19;2*1-15(12(22)23)8-29-17(30-14(15)26)4-2-3-9-6-21(7-16(9,19)13(24)25)31(27,28)20-11-5-10(11)18;4*2-1-3/h12-14,22H,4-11,21H2,1-3H3,(H,25,26)(H,27,28);11-12,22H,3-10,20-21H2,1-2H3,(H,24,25)(H,26,27);2*9-11,20H,2-8,18-19H2,1H3,(H,22,23)(H,24,25);;;;/t13-,18?,19-;11?,12-,16?,18-;9-,10+,11+,15?,16-;9-,10-,11-,15?,16-;;;;/m0000..../s1
InChIKeyKPFKBHDWKLIOEX-DRUDBNJQSA-N
MW2095.33 g/mol
LogP-10.29
Rot. Bonds38

About (3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide)

(3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide) (PubChem CID 167607622) has the molecular formula C73H118B4N16O44S4 and a molecular weight of 2095.33 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide).

Molecular Properties

Compound Name(3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide)
PubChem CID167607622
Molecular FormulaC73H118B4N16O44S4
Molecular Weight2095.33 g/mol
Exact Mass2094.67
IUPAC Name(3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide)
SMILESCC(C)N(C1CNC1)S(=O)(=O)N1C[C@H](CCCB2OCC(C)(C(=O)O)C(=O)O2)[C@](N)(C(=O)O)C1.CC(NS(=O)(=O)N1C[C@H](CCCB2OCC(C)(C(=O)O)C(=O)O2)[C@](N)(C(=O)O)C1)C1(N)CC1.CC1(C(=O)O)COB(CCC[C@H]2CN(S(=O)(=O)N[C@@H]3C[C@H]3N)C[C@@]2(N)C(=O)O)OC1=O.CC1(C(=O)O)COB(CCC[C@H]2CN(S(=O)(=O)N[C@H]3C[C@@H]3N)C[C@@]2(N)C(=O)O)OC1=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C19H33BN4O9S.C18H31BN4O9S.2C16H27BN4O9S.4CO2/c1-12(2)24(14-7-22-8-14)34(30,31)23-9-13(19(21,10-23)16(27)28)5-4-6-20-32-11-18(3,15(25)26)17(29)33-20;1-11(17(20)5-6-17)22-33(29,30)23-8-12(18(21,9-23)14(26)27)4-3-7-19-31-10-16(2,13(24)25)15(28)32-19;2*1-15(12(22)23)8-29-17(30-14(15)26)4-2-3-9-6-21(7-16(9,19)13(24)25)31(27,28)20-11-5-10(11)18;4*2-1-3/h12-14,22H,4-11,21H2,1-3H3,(H,25,26)(H,27,28);11-12,22H,3-10,20-21H2,1-2H3,(H,24,25)(H,26,27);2*9-11,20H,2-8,18-19H2,1H3,(H,22,23)(H,24,25);;;;/t13-,18?,19-;11?,12-,16?,18-;9-,10+,11+,15?,16-;9-,10-,11-,15?,16-;;;;/m0000..../s1
InChIKeyKPFKBHDWKLIOEX-DRUDBNJQSA-N
XLogP-10.29
TPSA960.10 Ų
H-Bond Donors19
H-Bond Acceptors44
Rotatable Bonds38
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002095.33
LogP ≤ 5-10.29
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide)?
The IUPAC name of (3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide) (CID 167607622) is (3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide).
What is the SMILES notation for (3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide)?
The canonical SMILES for (3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide) is CC(C)N(C1CNC1)S(=O)(=O)N1C[C@H](CCCB2OCC(C)(C(=O)O)C(=O)O2)[C@](N)(C(=O)O)C1.CC(NS(=O)(=O)N1C[C@H](CCCB2OCC(C)(C(=O)O)C(=O)O2)[C@](N)(C(=O)O)C1)C1(N)CC1.CC1(C(=O)O)COB(CCC[C@H]2CN(S(=O)(=O)N[C@@H]3C[C@H]3N)C[C@@]2(N)C(=O)O)OC1=O.CC1(C(=O)O)COB(CCC[C@H]2CN(S(=O)(=O)N[C@H]3C[C@@H]3N)C[C@@]2(N)C(=O)O)OC1=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of (3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide)?
The InChIKey is KPFKBHDWKLIOEX-DRUDBNJQSA-N. The full InChI is InChI=1S/C19H33BN4O9S.C18H31BN4O9S.2C16H27BN4O9S.4CO2/c1-12(2)24(14-7-22-8-14)34(30,31)23-9-13(19(21,10-23)16(27)28)5-4-6-20-32-11-18(3,15(25)26)17(29)33-20;1-11(17(20)5-6-17)22-33(29,30)23-8-12(18(21,9-23)14(26)27)4-3-7-19-31-10-16(2,13(24)25)15(28)32-19;2*1-15(12(22)23)8-29-17(30-14(15)26)4-2-3-9-6-21(7-16(9,19)13(24)25)31(27,28)20-11-5-10(11)18;4*2-1-3/h12-14,22H,4-11,21H2,1-3H3,(H,25,26)(H,27,28);11-12,22H,3-10,20-21H2,1-2H3,(H,24,25)(H,26,27);2*9-11,20H,2-8,18-19H2,1H3,(H,22,23)(H,24,25);;;;/t13-,18?,19-;11?,12-,16?,18-;9-,10+,11+,15?,16-;9-,10-,11-,15?,16-;;;;/m0000..../s1.
What are the key properties of (3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide)?
(3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide) has a molecular weight of 2095.33 g/mol, XLogP of -10.29, 38 rotatable bonds, 19 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-[1-(1-aminocyclopropyl)ethylsulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1S,2S)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclopropyl]sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-[3-(5-carboxy-5-methyl-4-oxo-1,3,2-dioxaborinan-2-yl)propyl]pyrrolidine-3-carboxylic acid;tetrakis(carbon dioxide) is sourced from PubChem (CID 167607622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).