(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid

C91H174B6F6N26O44S6 — CID 167673547

IUPAC(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
SMILESNC1COCC1N(C1CCNCC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(C1CCOCC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(CC(F)(F)F)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(CC(F)F)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(CCF)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(c1ncco1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1
InChIInChI=1S/C17H34BN5O7S.C17H33BN4O8S.C15H26BN5O8S.C14H26BF3N4O7S.C14H27BF2N4O7S.C14H28BFN4O7S/c19-14-9-30-10-15(14)23(13-3-6-21-7-4-13)31(28,29)22-8-12(2-1-5-18(26)27)17(20,11-22)16(24)25;19-14-9-30-10-15(14)22(13-3-6-29-7-4-13)31(27,28)21-8-12(2-1-5-18(25)26)17(20,11-21)16(23)24;17-11-7-28-8-12(11)21(14-19-4-5-29-14)30(26,27)20-6-10(2-1-3-16(24)25)15(18,9-20)13(22)23;16-14(17,18)8-22(11-6-29-5-10(11)19)30(27,28)21-4-9(2-1-3-15(25)26)13(20,7-21)12(23)24;16-12(17)5-21(11-7-28-6-10(11)18)29(26,27)20-4-9(2-1-3-15(24)25)14(19,8-20)13(22)23;16-4-5-20(12-8-27-7-11(12)17)28(25,26)19-6-10(2-1-3-15(23)24)14(18,9-19)13(21)22/h12-15,21,26-27H,1-11,19-20H2,(H,24,25);12-15,25-26H,1-11,19-20H2,(H,23,24);4-5,10-12,24-25H,1-3,6-9,17-18H2,(H,22,23);9-11,25-26H,1-8,19-20H2,(H,23,24);9-12,24-25H,1-8,18-19H2,(H,22,23);10-12,23-24H,1-9,17-18H2,(H,21,22)/t2*12-,14?,15?,17-;10-,11?,12?,15-;9-,10?,11?,13-;9-,10?,11?,14-;10-,11?,12?,14-/m000000/s1
InChIKeyUMFDZBBYGZDPFC-GZXZAPOOSA-N
MW2707.79 g/mol
LogP-15.72
Rot. Bonds56

About (3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid

(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid (PubChem CID 167673547) has the molecular formula C91H174B6F6N26O44S6 and a molecular weight of 2707.79 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
PubChem CID167673547
Molecular FormulaC91H174B6F6N26O44S6
Molecular Weight2707.79 g/mol
Exact Mass2707.10
IUPAC Name(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
SMILESNC1COCC1N(C1CCNCC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(C1CCOCC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(CC(F)(F)F)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(CC(F)F)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(CCF)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(c1ncco1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1
InChIInChI=1S/C17H34BN5O7S.C17H33BN4O8S.C15H26BN5O8S.C14H26BF3N4O7S.C14H27BF2N4O7S.C14H28BFN4O7S/c19-14-9-30-10-15(14)23(13-3-6-21-7-4-13)31(28,29)22-8-12(2-1-5-18(26)27)17(20,11-22)16(24)25;19-14-9-30-10-15(14)22(13-3-6-29-7-4-13)31(27,28)21-8-12(2-1-5-18(25)26)17(20,11-21)16(23)24;17-11-7-28-8-12(11)21(14-19-4-5-29-14)30(26,27)20-6-10(2-1-3-16(24)25)15(18,9-20)13(22)23;16-14(17,18)8-22(11-6-29-5-10(11)19)30(27,28)21-4-9(2-1-3-15(25)26)13(20,7-21)12(23)24;16-12(17)5-21(11-7-28-6-10(11)18)29(26,27)20-4-9(2-1-3-15(24)25)14(19,8-20)13(22)23;16-4-5-20(12-8-27-7-11(12)17)28(25,26)19-6-10(2-1-3-15(23)24)14(18,9-19)13(21)22/h12-15,21,26-27H,1-11,19-20H2,(H,24,25);12-15,25-26H,1-11,19-20H2,(H,23,24);4-5,10-12,24-25H,1-3,6-9,17-18H2,(H,22,23);9-11,25-26H,1-8,19-20H2,(H,23,24);9-12,24-25H,1-8,18-19H2,(H,22,23);10-12,23-24H,1-9,17-18H2,(H,21,22)/t2*12-,14?,15?,17-;10-,11?,12?,15-;9-,10?,11?,13-;9-,10?,11?,14-;10-,11?,12?,14-/m000000/s1
InChIKeyUMFDZBBYGZDPFC-GZXZAPOOSA-N
XLogP-15.72
TPSA1125.19 Ų
H-Bond Donors31
H-Bond Acceptors52
Rotatable Bonds56
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002707.79
LogP ≤ 5-15.72
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid (CID 167673547) is (3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid is NC1COCC1N(C1CCNCC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(C1CCOCC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(CC(F)(F)F)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(CC(F)F)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(CCF)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC1COCC1N(c1ncco1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.
What is the InChIKey of (3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UMFDZBBYGZDPFC-GZXZAPOOSA-N. The full InChI is InChI=1S/C17H34BN5O7S.C17H33BN4O8S.C15H26BN5O8S.C14H26BF3N4O7S.C14H27BF2N4O7S.C14H28BFN4O7S/c19-14-9-30-10-15(14)23(13-3-6-21-7-4-13)31(28,29)22-8-12(2-1-5-18(26)27)17(20,11-22)16(24)25;19-14-9-30-10-15(14)22(13-3-6-29-7-4-13)31(27,28)21-8-12(2-1-5-18(25)26)17(20,11-21)16(23)24;17-11-7-28-8-12(11)21(14-19-4-5-29-14)30(26,27)20-6-10(2-1-3-16(24)25)15(18,9-20)13(22)23;16-14(17,18)8-22(11-6-29-5-10(11)19)30(27,28)21-4-9(2-1-3-15(25)26)13(20,7-21)12(23)24;16-12(17)5-21(11-7-28-6-10(11)18)29(26,27)20-4-9(2-1-3-15(24)25)14(19,8-20)13(22)23;16-4-5-20(12-8-27-7-11(12)17)28(25,26)19-6-10(2-1-3-15(23)24)14(18,9-19)13(21)22/h12-15,21,26-27H,1-11,19-20H2,(H,24,25);12-15,25-26H,1-11,19-20H2,(H,23,24);4-5,10-12,24-25H,1-3,6-9,17-18H2,(H,22,23);9-11,25-26H,1-8,19-20H2,(H,23,24);9-12,24-25H,1-8,18-19H2,(H,22,23);10-12,23-24H,1-9,17-18H2,(H,21,22)/t2*12-,14?,15?,17-;10-,11?,12?,15-;9-,10?,11?,13-;9-,10?,11?,14-;10-,11?,12?,14-/m000000/s1.
What are the key properties of (3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?
(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 2707.79 g/mol, XLogP of -15.72, 56 rotatable bonds, 31 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 167673547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).