carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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)

C179H233N37O37S4 — CID 160809310

About carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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)

carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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) (PubChem CID 160809310) has the molecular formula C179H233N37O37S4 and a molecular weight of 3623.32 g/mol. Its IUPAC name is carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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).

Molecular Properties

• Compound Name: carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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)
• PubChem CID: 160809310
• Molecular Formula: C179H233N37O37S4
• Molecular Weight: 3623.32 g/mol
• Exact Mass: 3620.64
• IUPAC Name: carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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)
• SMILES: CS(=O)(=O)COCCOCCOCCn1nncc1CO[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C[C@@H](N)CC[C@H](N)C(=O)O.CS(=O)(=O)NCCCOCCOCCOCCCNCCO[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.Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](OCc2cnnn2CCCCCCNC(=O)OC2CCN(C(=O)c3ccccc3C3=c4cc5c6c(c4Oc4c3cc3c7c4CCCN7CCC3)CCC[N+]=6CCC5)CC2)[C@H]1O.O=S(=O)([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3.O=S(=O)([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3.[CH3-]
• InChI: InChI=1S/C62H76N14O9.2C31H30N2O4S.C28H51N9O10S.C26H42N10O10S.CH3/c63-38(17-18-47(64)61(79)80)31-48-56(53(77)60(84-48)75-35-69-50-57(65)67-34-68-58(50)75)82-33-39-32-70-71-76(39)26-6-2-1-5-21-66-62(81)83-40-19-27-74(28-20-40)59(78)42-14-4-3-13-41(42)49-45-29-36-11-7-22-72-24-9-15-43(51(36)72)54(45)85-55-44-16-10-25-73-23-8-12-37(52(44)73)30-46(49)55;2*34-38(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;1-48(41,42)36-7-3-10-44-13-15-45-14-12-43-9-2-6-32-8-11-46-24-23(38)21(16-19(29)4-5-20(30)28(39)40)47-27(24)37-18-35-22-25(31)33-17-34-26(22)37;1-47(40,41)15-44-9-8-43-7-6-42-5-4-36-17(11-33-34-36)12-45-22-19(10-16(27)2-3-18(28)26(38)39)46-25(21(22)37)35-14-32-20-23(29)30-13-31-24(20)35;/h3-4,13-14,29-30,32,34-35,38,40,47-48,53,56,60,77H,1-2,5-12,15-28,31,33,63-64H2,(H3-,65,66,67,68,79,80,81);2*1-2,9,12,17-18H,3-8,10-11,13-16H2;17-21,23-24,27,32,36,38H,2-16,29-30H2,1H3,(H,39,40)(H2,31,33,34);11,13-14,16,18-19,21-22,25,37H,2-10,12,15,27-28H2,1H3,(H,38,39)(H2,29,30,31);1H3/q;;;;;-1/p+1/t38-,47-,48+,53+,56+,60+;;;19-,20-,21+,23+,24+,27+;16-,18-,19+,21+,22+,25+;/m0..00./s1
• InChIKey: SECLDDTVVYJMNN-BBATVFSBSA-O
• XLogP: 6.02
• TPSA: 1021.57 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 65
• Rotatable Bonds: 71
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3623.32
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	65

Frequently Asked Questions

What is the IUPAC name of carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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)?

The IUPAC name of carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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) (CID 160809310) is carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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).

What is the SMILES notation for carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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)?

The canonical SMILES for carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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) is CS(=O)(=O)COCCOCCOCCn1nncc1CO[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C[C@@H](N)CC[C@H](N)C(=O)O.CS(=O)(=O)NCCCOCCOCCOCCCNCCO[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.Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](OCc2cnnn2CCCCCCNC(=O)OC2CCN(C(=O)c3ccccc3C3=c4cc5c6c(c4Oc4c3cc3c7c4CCCN7CCC3)CCC[N+]=6CCC5)CC2)[C@H]1O.O=S(=O)([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3.O=S(=O)([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3.[CH3-].

What is the InChIKey of carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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)?

The InChIKey is SECLDDTVVYJMNN-BBATVFSBSA-O. The full InChI is InChI=1S/C62H76N14O9.2C31H30N2O4S.C28H51N9O10S.C26H42N10O10S.CH3/c63-38(17-18-47(64)61(79)80)31-48-56(53(77)60(84-48)75-35-69-50-57(65)67-34-68-58(50)75)82-33-39-32-70-71-76(39)26-6-2-1-5-21-66-62(81)83-40-19-27-74(28-20-40)59(78)42-14-4-3-13-41(42)49-45-29-36-11-7-22-72-24-9-15-43(51(36)72)54(45)85-55-44-16-10-25-73-23-8-12-37(52(44)73)30-46(49)55;2*34-38(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;1-48(41,42)36-7-3-10-44-13-15-45-14-12-43-9-2-6-32-8-11-46-24-23(38)21(16-19(29)4-5-20(30)28(39)40)47-27(24)37-18-35-22-25(31)33-17-34-26(22)37;1-47(40,41)15-44-9-8-43-7-6-42-5-4-36-17(11-33-34-36)12-45-22-19(10-16(27)2-3-18(28)26(38)39)46-25(21(22)37)35-14-32-20-23(29)30-13-31-24(20)35;/h3-4,13-14,29-30,32,34-35,38,40,47-48,53,56,60,77H,1-2,5-12,15-28,31,33,63-64H2,(H3-,65,66,67,68,79,80,81);2*1-2,9,12,17-18H,3-8,10-11,13-16H2;17-21,23-24,27,32,36,38H,2-16,29-30H2,1H3,(H,39,40)(H2,31,33,34);11,13-14,16,18-19,21-22,25,37H,2-10,12,15,27-28H2,1H3,(H,38,39)(H2,29,30,31);1H3/q;;;;;-1/p+1/t38-,47-,48+,53+,56+,60+;;;19-,20-,21+,23+,24+,27+;16-,18-,19+,21+,22+,25+;/m0..00./s1.

What are the key properties of carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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)?

carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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) has a molecular weight of 3623.32 g/mol, XLogP of 6.02, 71 rotatable bonds, 18 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(methylsulfonylmethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[6-[[1-[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)benzoyl]piperidin-4-yl]oxycarbonylamino]hexyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;bis(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) is sourced from PubChem (CID 160809310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).