2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride

C187H289BBrCl7N40O37 — CID 157418393

About 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride

2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride (PubChem CID 157418393) has the molecular formula C187H289BBrCl7N40O37 and a molecular weight of 4028.50 g/mol. Its IUPAC name is 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride.

Molecular Properties

• Compound Name: 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride
• PubChem CID: 157418393
• Molecular Formula: C187H289BBrCl7N40O37
• Molecular Weight: 4028.50 g/mol
• Exact Mass: 4021.91
• IUPAC Name: 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride
• SMILES: C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)c1cncc(-c2cccnc2)c1)NC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)c1cncc(-c2cccnc2)c1.C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN.C=C(C)C(=O)NCCCNC(=O)C(N)CCCCN.CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)O.CO.Cl.Cl.Cl.Cl.Cl.Cl.Cl.O=C(O)c1cncc(-c2cccnc2)c1.OB(O)c1ccccc1CBr
• InChI: InChI=1S/C69H74N16O8.C45H82N8O12.C25H50N8O4.C16H30N2O6.C13H26N4O2.C11H8N2O2.C7H8BBrO2.CH4O.7ClH/c1-46(2)62(86)78-28-13-29-82-68(92)60(85-69(93)61(84-66(90)58-33-54(41-77-45-58)50-17-12-24-73-37-50)20-5-7-26-80-64(88)56-31-52(39-75-43-56)48-15-10-22-71-35-48)19-4-8-27-81-67(91)59(83-65(89)57-32-53(40-76-44-57)49-16-11-23-72-36-49)18-3-6-25-79-63(87)55-30-51(38-74-42-55)47-14-9-21-70-34-47;1-30(2)34(54)46-28-21-29-48-35(55)31(51-37(57)33(53-41(61)65-45(12,13)14)24-17-20-27-50-39(59)63-43(6,7)8)22-15-18-25-47-36(56)32(52-40(60)64-44(9,10)11)23-16-19-26-49-38(58)62-42(3,4)5;1-18(2)22(34)30-16-9-17-32-25(37)21(33-24(36)20(29)11-4-7-14-27)12-5-8-15-31-23(35)19(28)10-3-6-13-26;1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6;1-10(2)12(18)16-8-5-9-17-13(19)11(15)6-3-4-7-14;14-11(15)10-4-9(6-13-7-10)8-2-1-3-12-5-8;9-5-6-3-1-2-4-7(6)8(10)11;1-2;;;;;;;/h9-12,14-17,21-24,30-45,59-61H,1,3-8,13,18-20,25-29H2,2H3,(H,78,86)(H,79,87)(H,80,88)(H,81,91)(H,82,92)(H,83,89)(H,84,90)(H,85,93);31-33H,1,15-29H2,2-14H3,(H,46,54)(H,47,56)(H,48,55)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,53,61);19-21H,1,3-17,26-29H2,2H3,(H,30,34)(H,31,35)(H,32,37)(H,33,36);11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20);11H,1,3-9,14-15H2,2H3,(H,16,18)(H,17,19);1-7H,(H,14,15);1-4,10-11H,5H2;2H,1H3;7*1H
• InChIKey: QXDMOUPQZKBBPB-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 1174.09 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 51
• Rotatable Bonds: 103
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4028.50
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride?

The IUPAC name of 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride (CID 157418393) is 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride.

What is the SMILES notation for 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride?

The canonical SMILES for 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride is C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)c1cncc(-c2cccnc2)c1)NC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)c1cncc(-c2cccnc2)c1.C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN.C=C(C)C(=O)NCCCNC(=O)C(N)CCCCN.CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)O.CO.Cl.Cl.Cl.Cl.Cl.Cl.Cl.O=C(O)c1cncc(-c2cccnc2)c1.OB(O)c1ccccc1CBr.

What is the InChIKey of 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride?

The InChIKey is QXDMOUPQZKBBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H74N16O8.C45H82N8O12.C25H50N8O4.C16H30N2O6.C13H26N4O2.C11H8N2O2.C7H8BBrO2.CH4O.7ClH/c1-46(2)62(86)78-28-13-29-82-68(92)60(85-69(93)61(84-66(90)58-33-54(41-77-45-58)50-17-12-24-73-37-50)20-5-7-26-80-64(88)56-31-52(39-75-43-56)48-15-10-22-71-35-48)19-4-8-27-81-67(91)59(83-65(89)57-32-53(40-76-44-57)49-16-11-23-72-36-49)18-3-6-25-79-63(87)55-30-51(38-74-42-55)47-14-9-21-70-34-47;1-30(2)34(54)46-28-21-29-48-35(55)31(51-37(57)33(53-41(61)65-45(12,13)14)24-17-20-27-50-39(59)63-43(6,7)8)22-15-18-25-47-36(56)32(52-40(60)64-44(9,10)11)23-16-19-26-49-38(58)62-42(3,4)5;1-18(2)22(34)30-16-9-17-32-25(37)21(33-24(36)20(29)11-4-7-14-27)12-5-8-15-31-23(35)19(28)10-3-6-13-26;1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6;1-10(2)12(18)16-8-5-9-17-13(19)11(15)6-3-4-7-14;14-11(15)10-4-9(6-13-7-10)8-2-1-3-12-5-8;9-5-6-3-1-2-4-7(6)8(10)11;1-2;;;;;;;/h9-12,14-17,21-24,30-45,59-61H,1,3-8,13,18-20,25-29H2,2H3,(H,78,86)(H,79,87)(H,80,88)(H,81,91)(H,82,92)(H,83,89)(H,84,90)(H,85,93);31-33H,1,15-29H2,2-14H3,(H,46,54)(H,47,56)(H,48,55)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,53,61);19-21H,1,3-17,26-29H2,2H3,(H,30,34)(H,31,35)(H,32,37)(H,33,36);11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20);11H,1,3-9,14-15H2,2H3,(H,16,18)(H,17,19);1-7H,(H,14,15);1-4,10-11H,5H2;2H,1H3;7*1H.

What are the key properties of 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride?

2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride has a molecular weight of 4028.50 g/mol, XLogP of 17.55, 103 rotatable bonds, 35 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride is sourced from PubChem (CID 157418393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).