(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene

C116H154N24O26S4 — CID 157085177

IUPAC(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene
SMILESCS(=O)(=O)NCCCCCC(=O)NCCNc1cnc(N)c2ncn([C@@H]3O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)c12.CS(=O)(=O)NCCOCCOCCOCCn1nncc1CCO[C@@H]1[C@H](O)[C@@H](C[C@@H](N)CC[C@H](N)C(=O)O)O[C@H]1n1cnc2c(N)ncnc21.CS(=O)(=O)[O-].O=S(=O)([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3.c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)cc1
InChIInChI=1S/C31H30N2O4S.C31H31N2O.C28H47N11O10S.C25H43N9O8S.CH4O3S/c34-38(35,36)26-12-2-1-9-21(26)27-24-17-19-7-3-13-32-15-5-10-22(28(19)32)30(24)37-31-23-11-6-16-33-14-4-8-20(29(23)33)18-25(27)31;1-2-8-20(9-3-1)27-25-18-21-10-4-14-32-16-6-12-23(28(21)32)30(25)34-31-24-13-7-17-33-15-5-11-22(29(24)33)19-26(27)31;1-50(43,44)36-5-8-45-10-12-47-13-11-46-9-6-39-19(15-35-37-39)4-7-48-24-23(40)21(14-18(29)2-3-20(30)28(41)42)49-27(24)38-17-34-22-25(31)32-16-33-26(22)38;1-43(40,41)33-8-4-2-3-5-18(35)30-10-9-29-16-12-31-23(28)19-20(16)34(13-32-19)24-22(37)21(36)17(42-24)11-14(26)6-7-15(27)25(38)39;1-5(2,3)4/h1-2,9,12,17-18H,3-8,10-11,13-16H2;1-3,8-9,18-19H,4-7,10-17H2;15-18,20-21,23-24,27,36,40H,2-14,29-30H2,1H3,(H,41,42)(H2,31,32,33);12-15,17,21-22,24,29,33,36-37H,2-11,26-27H2,1H3,(H2,28,31)(H,30,35)(H,38,39);1H3,(H,2,3,4)/q;+1;;;/p-1/t;;18-,20-,21+,23+,24+,27+;14-,15-,17+,21+,22+,24+;/m..00./s1
InChIKeyRAHUIZQNDNLGDI-TYPFUFPWSA-M
MW2428.92 g/mol
LogP1.88
Rot. Bonds45

About (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene

(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene (PubChem CID 157085177) has the molecular formula C116H154N24O26S4 and a molecular weight of 2428.92 g/mol. Its IUPAC name is (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene.

Molecular Properties

Compound Name(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene
PubChem CID157085177
Molecular FormulaC116H154N24O26S4
Molecular Weight2428.92 g/mol
Exact Mass2427.03
IUPAC Name(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene
SMILESCS(=O)(=O)NCCCCCC(=O)NCCNc1cnc(N)c2ncn([C@@H]3O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)c12.CS(=O)(=O)NCCOCCOCCOCCn1nncc1CCO[C@@H]1[C@H](O)[C@@H](C[C@@H](N)CC[C@H](N)C(=O)O)O[C@H]1n1cnc2c(N)ncnc21.CS(=O)(=O)[O-].O=S(=O)([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3.c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)cc1
InChIInChI=1S/C31H30N2O4S.C31H31N2O.C28H47N11O10S.C25H43N9O8S.CH4O3S/c34-38(35,36)26-12-2-1-9-21(26)27-24-17-19-7-3-13-32-15-5-10-22(28(19)32)30(24)37-31-23-11-6-16-33-14-4-8-20(29(23)33)18-25(27)31;1-2-8-20(9-3-1)27-25-18-21-10-4-14-32-16-6-12-23(28(21)32)30(25)34-31-24-13-7-17-33-15-5-11-22(29(24)33)19-26(27)31;1-50(43,44)36-5-8-45-10-12-47-13-11-46-9-6-39-19(15-35-37-39)4-7-48-24-23(40)21(14-18(29)2-3-20(30)28(41)42)49-27(24)38-17-34-22-25(31)32-16-33-26(22)38;1-43(40,41)33-8-4-2-3-5-18(35)30-10-9-29-16-12-31-23(28)19-20(16)34(13-32-19)24-22(37)21(36)17(42-24)11-14(26)6-7-15(27)25(38)39;1-5(2,3)4/h1-2,9,12,17-18H,3-8,10-11,13-16H2;1-3,8-9,18-19H,4-7,10-17H2;15-18,20-21,23-24,27,36,40H,2-14,29-30H2,1H3,(H,41,42)(H2,31,32,33);12-15,17,21-22,24,29,33,36-37H,2-11,26-27H2,1H3,(H2,28,31)(H,30,35)(H,38,39);1H3,(H,2,3,4)/q;+1;;;/p-1/t;;18-,20-,21+,23+,24+,27+;14-,15-,17+,21+,22+,24+;/m..00./s1
InChIKeyRAHUIZQNDNLGDI-TYPFUFPWSA-M
XLogP1.88
TPSA730.64 Ų
H-Bond Donors15
H-Bond Acceptors43
Rotatable Bonds45
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002428.92
LogP ≤ 51.88
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene?
The IUPAC name of (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene (CID 157085177) is (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene.
What is the SMILES notation for (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene?
The canonical SMILES for (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene is CS(=O)(=O)NCCCCCC(=O)NCCNc1cnc(N)c2ncn([C@@H]3O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)c12.CS(=O)(=O)NCCOCCOCCOCCn1nncc1CCO[C@@H]1[C@H](O)[C@@H](C[C@@H](N)CC[C@H](N)C(=O)O)O[C@H]1n1cnc2c(N)ncnc21.CS(=O)(=O)[O-].O=S(=O)([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3.c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)cc1.
What is the InChIKey of (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene?
The InChIKey is RAHUIZQNDNLGDI-TYPFUFPWSA-M. The full InChI is InChI=1S/C31H30N2O4S.C31H31N2O.C28H47N11O10S.C25H43N9O8S.CH4O3S/c34-38(35,36)26-12-2-1-9-21(26)27-24-17-19-7-3-13-32-15-5-10-22(28(19)32)30(24)37-31-23-11-6-16-33-14-4-8-20(29(23)33)18-25(27)31;1-2-8-20(9-3-1)27-25-18-21-10-4-14-32-16-6-12-23(28(21)32)30(25)34-31-24-13-7-17-33-15-5-11-22(29(24)33)19-26(27)31;1-50(43,44)36-5-8-45-10-12-47-13-11-46-9-6-39-19(15-35-37-39)4-7-48-24-23(40)21(14-18(29)2-3-20(30)28(41)42)49-27(24)38-17-34-22-25(31)32-16-33-26(22)38;1-43(40,41)33-8-4-2-3-5-18(35)30-10-9-29-16-12-31-23(28)19-20(16)34(13-32-19)24-22(37)21(36)17(42-24)11-14(26)6-7-15(27)25(38)39;1-5(2,3)4/h1-2,9,12,17-18H,3-8,10-11,13-16H2;1-3,8-9,18-19H,4-7,10-17H2;15-18,20-21,23-24,27,36,40H,2-14,29-30H2,1H3,(H,41,42)(H2,31,32,33);12-15,17,21-22,24,29,33,36-37H,2-11,26-27H2,1H3,(H2,28,31)(H,30,35)(H,38,39);1H3,(H,2,3,4)/q;+1;;;/p-1/t;;18-,20-,21+,23+,24+,27+;14-,15-,17+,21+,22+,24+;/m..00./s1.
What are the key properties of (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene?
(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene has a molecular weight of 2428.92 g/mol, XLogP of 1.88, 45 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-[4-amino-7-[2-[6-(methanesulfonamido)hexanoylamino]ethylamino]imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[2-[2-(methanesulfonamido)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethoxy]oxolan-2-yl]hexanoic acid;methanesulfonate;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene is sourced from PubChem (CID 157085177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).