(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid

C79H141B5N20O41S5 — CID 167601679

IUPAC(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
SMILESNC(CN(C1CCC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(C1COC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(CC1CC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(Cc1ccccc1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(c1ccccc1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O
InChIInChI=1S/C18H29BN4O8S.C17H27BN4O8S.2C15H29BN4O8S.C14H27BN4O9S/c20-15(16(24)25)11-22(9-13-5-2-1-3-6-13)32(30,31)23-10-14(7-4-8-19(28)29)18(21,12-23)17(26)27;19-14(15(23)24)10-22(13-6-2-1-3-7-13)31(29,30)21-9-12(5-4-8-18(27)28)17(20,11-21)16(25)26;17-12(13(21)22)8-20(11-4-1-5-11)29(27,28)19-7-10(3-2-6-16(25)26)15(18,9-19)14(23)24;17-12(13(21)22)8-19(6-10-3-4-10)29(27,28)20-7-11(2-1-5-16(25)26)15(18,9-20)14(23)24;16-11(12(20)21)5-19(10-6-28-7-10)29(26,27)18-4-9(2-1-3-15(24)25)14(17,8-18)13(22)23/h1-3,5-6,14-15,28-29H,4,7-12,20-21H2,(H,24,25)(H,26,27);1-3,6-7,12,14,27-28H,4-5,8-11,19-20H2,(H,23,24)(H,25,26);2*10-12,25-26H,1-9,17-18H2,(H,21,22)(H,23,24);9-11,24-25H,1-8,16-17H2,(H,20,21)(H,22,23)/t14-,15?,18-;12-,14?,17-;10-,12?,15-;11-,12?,15-;9-,11?,14-/m00000/s1
InChIKeyJUYBKRNUFWJIHQ-BOSTYGBNSA-N
MW2241.49 g/mol
LogP-12.67
Rot. Bonds57

About (3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid

(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid (PubChem CID 167601679) has the molecular formula C79H141B5N20O41S5 and a molecular weight of 2241.49 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
PubChem CID167601679
Molecular FormulaC79H141B5N20O41S5
Molecular Weight2241.49 g/mol
Exact Mass2240.86
IUPAC Name(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
SMILESNC(CN(C1CCC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(C1COC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(CC1CC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(Cc1ccccc1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(c1ccccc1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O
InChIInChI=1S/C18H29BN4O8S.C17H27BN4O8S.2C15H29BN4O8S.C14H27BN4O9S/c20-15(16(24)25)11-22(9-13-5-2-1-3-6-13)32(30,31)23-10-14(7-4-8-19(28)29)18(21,12-23)17(26)27;19-14(15(23)24)10-22(13-6-2-1-3-7-13)31(29,30)21-9-12(5-4-8-18(27)28)17(20,11-21)16(25)26;17-12(13(21)22)8-20(11-4-1-5-11)29(27,28)19-7-10(3-2-6-16(25)26)15(18,9-19)14(23)24;17-12(13(21)22)8-19(6-10-3-4-10)29(27,28)20-7-11(2-1-5-16(25)26)15(18,9-20)14(23)24;16-11(12(20)21)5-19(10-6-28-7-10)29(26,27)18-4-9(2-1-3-15(24)25)14(17,8-18)13(22)23/h1-3,5-6,14-15,28-29H,4,7-12,20-21H2,(H,24,25)(H,26,27);1-3,6-7,12,14,27-28H,4-5,8-11,19-20H2,(H,23,24)(H,25,26);2*10-12,25-26H,1-9,17-18H2,(H,21,22)(H,23,24);9-11,24-25H,1-8,16-17H2,(H,20,21)(H,22,23)/t14-,15?,18-;12-,14?,17-;10-,12?,15-;11-,12?,15-;9-,11?,14-/m00000/s1
InChIKeyJUYBKRNUFWJIHQ-BOSTYGBNSA-N
XLogP-12.67
TPSA1047.83 Ų
H-Bond Donors30
H-Bond Acceptors41
Rotatable Bonds57
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002241.49
LogP ≤ 5-12.67
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze (3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid 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

(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 164837859
(3R,4S)-3-amino-1-[azetidin-3-yl(cyclobutyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(2,2-difluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(2,2,2-trifluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 167642813
(3R,4S)-3-amino-1-[benzyl(2,3-diaminopropanoyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-4-(3-boronopropyl)-1-[butyl(2,3-diaminopropanoyl)sulfamoyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-4-(3-boronopropyl)-1-[cyclopropyl(2,3-diaminopropanoyl)sulfamoyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-4-(3-boronopropyl)-1-[cyclopropylmethyl(2,3-diaminopropanoyl)sulfamoyl]pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-4-(3-boronopropyl)-1-[2,3-diaminopropanoyl(2-methylpropyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 167617257
(3R,4S)-3-amino-4-(3-boronopropyl)-1-[cyclobutyl(2,3-diaminopropanoyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 164837585
(3R,4S)-3-amino-1-[(2-aminocyclopropyl)-(pyridin-2-ylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 164837677
(3R,4S)-3-amino-1-[azetidin-3-yl(piperidin-3-ylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 164837436
(3R,4S)-3-amino-1-[1-aminopropan-2-yl(methyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 155627484
(3R,4S)-3-amino-1-[2-aminoethyl(2-fluoroethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 164837649
(3R,4S)-3-amino-1-[2-aminoethyl(ethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 164837844
(3R,4S)-3-amino-1-[(4-aminooxolan-3-yl)-piperidin-4-ylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 164837925
(3R,4S)-3-amino-1-[azetidin-3-yl(oxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(1,3-oxazol-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(oxolan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(piperidin-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(pyridin-2-ylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[azetidin-3-yl(pyridin-4-ylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 167627922
(3R,4S)-3-amino-1-[[(2S)-2-amino-2-carboxyethyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 167690683

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid (CID 167601679) is (3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid is NC(CN(C1CCC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(C1COC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(CC1CC1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(Cc1ccccc1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.NC(CN(c1ccccc1)S(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(=O)O.
What is the InChIKey of (3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JUYBKRNUFWJIHQ-BOSTYGBNSA-N. The full InChI is InChI=1S/C18H29BN4O8S.C17H27BN4O8S.2C15H29BN4O8S.C14H27BN4O9S/c20-15(16(24)25)11-22(9-13-5-2-1-3-6-13)32(30,31)23-10-14(7-4-8-19(28)29)18(21,12-23)17(26)27;19-14(15(23)24)10-22(13-6-2-1-3-7-13)31(29,30)21-9-12(5-4-8-18(27)28)17(20,11-21)16(25)26;17-12(13(21)22)8-20(11-4-1-5-11)29(27,28)19-7-10(3-2-6-16(25)26)15(18,9-19)14(23)24;17-12(13(21)22)8-19(6-10-3-4-10)29(27,28)20-7-11(2-1-5-16(25)26)15(18,9-20)14(23)24;16-11(12(20)21)5-19(10-6-28-7-10)29(26,27)18-4-9(2-1-3-15(24)25)14(17,8-18)13(22)23/h1-3,5-6,14-15,28-29H,4,7-12,20-21H2,(H,24,25)(H,26,27);1-3,6-7,12,14,27-28H,4-5,8-11,19-20H2,(H,23,24)(H,25,26);2*10-12,25-26H,1-9,17-18H2,(H,21,22)(H,23,24);9-11,24-25H,1-8,16-17H2,(H,20,21)(H,22,23)/t14-,15?,18-;12-,14?,17-;10-,12?,15-;11-,12?,15-;9-,11?,14-/m00000/s1.
What are the key properties of (3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?
(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 2241.49 g/mol, XLogP of -12.67, 57 rotatable bonds, 30 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-benzylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-cyclobutylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(cyclopropylmethyl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-(oxetan-3-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(2-amino-2-carboxyethyl)-phenylsulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 167601679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).