2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid)

C213H333F9N42O86 — CID 161344945

About 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid)

2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid) (PubChem CID 161344945) has the molecular formula C213H333F9N42O86 and a molecular weight of 5029.20 g/mol. Its IUPAC name is 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 161344945
• Molecular Formula: C213H333F9N42O86
• Molecular Weight: 5029.20 g/mol
• Exact Mass: 5026.28
• IUPAC Name: 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid)
• SMILES: C.C.COC(=O)CN(CC(=O)CCC(=O)NCC(=O)CCC(CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CCC(=O)OC(C)(C)C)(CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CCC(=O)OC(C)(C)C)CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CCC(=O)OC(C)(C)C)C(=O)CNC(=O)CCC(=O)OC(C)(C)C.COC(=O)CN(CC(=O)CCC(=O)NCC(=O)CCC(CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CN)(CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CN)CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CN)C(=O)CNC(=O)CN.COC(=O)CN(CC(=O)ON1C(=O)CCC1=O)C(=O)CNC(=O)CCC(=O)OC(C)(C)C.COC(=O)CN(CC(=O)ON1C(=O)CCC1=O)C(=O)CNC(=O)CCC(=O)OC(C)(C)C.NCC(=O)NCC(=O)CCC(CCC(=O)CNC(=O)CN)(CCC(=O)CNC(=O)CN)CCC(=O)CNC(=O)CN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C83H130N12O30.C59H94N16O22.C25H44N8O8.2C19H27N3O10.3C2HF3O2.2CH4/c1-79(2,3)122-74(116)29-25-66(108)88-45-70(112)92(13)49-58(100)17-21-62(104)84-41-54(96)33-37-83(38-34-55(97)42-85-63(105)22-18-59(101)50-93(14)71(113)46-89-67(109)26-30-75(117)123-80(4,5)6,39-35-56(98)43-86-64(106)23-19-60(102)51-94(15)72(114)47-90-68(110)27-31-76(118)124-81(7,8)9)40-36-57(99)44-87-65(107)24-20-61(103)52-95(53-78(120)121-16)73(115)48-91-69(111)28-32-77(119)125-82(10,11)12;1-72(54(92)29-68-50(88)21-60)33-42(80)5-9-46(84)64-25-38(76)13-17-59(18-14-39(77)26-65-47(85)10-6-43(81)34-73(2)55(93)30-69-51(89)22-61,19-15-40(78)27-66-48(86)11-7-44(82)35-74(3)56(94)31-70-52(90)23-62)20-16-41(79)28-67-49(87)12-8-45(83)36-75(37-58(96)97-4)57(95)32-71-53(91)24-63;26-9-21(38)30-13-17(34)1-5-25(6-2-18(35)14-31-22(39)10-27,7-3-19(36)15-32-23(40)11-28)8-4-20(37)16-33-24(41)12-29;2*1-19(2,3)31-16(27)8-5-12(23)20-9-15(26)21(10-17(28)30-4)11-18(29)32-22-13(24)6-7-14(22)25;3*3-2(4,5)1(6)7;;/h17-53H2,1-16H3,(H,84,104)(H,85,105)(H,86,106)(H,87,107)(H,88,108)(H,89,109)(H,90,110)(H,91,111);5-37,60-63H2,1-4H3,(H,64,84)(H,65,85)(H,66,86)(H,67,87)(H,68,88)(H,69,89)(H,70,90)(H,71,91);1-16,26-29H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41);2*5-11H2,1-4H3,(H,20,23);3*(H,6,7);2*1H4
• InChIKey: MFAGFGYUGCEYMY-UHFFFAOYSA-N
• XLogP: -13.02
• TPSA: 1895.12 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 91
• Rotatable Bonds: 160
• Heavy Atoms: 350
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5029.20
LogP ≤ 5	-13.02
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	91

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid) (CID 161344945) is 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid) is C.C.COC(=O)CN(CC(=O)CCC(=O)NCC(=O)CCC(CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CCC(=O)OC(C)(C)C)(CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CCC(=O)OC(C)(C)C)CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CCC(=O)OC(C)(C)C)C(=O)CNC(=O)CCC(=O)OC(C)(C)C.COC(=O)CN(CC(=O)CCC(=O)NCC(=O)CCC(CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CN)(CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CN)CCC(=O)CNC(=O)CCC(=O)CN(C)C(=O)CNC(=O)CN)C(=O)CNC(=O)CN.COC(=O)CN(CC(=O)ON1C(=O)CCC1=O)C(=O)CNC(=O)CCC(=O)OC(C)(C)C.COC(=O)CN(CC(=O)ON1C(=O)CCC1=O)C(=O)CNC(=O)CCC(=O)OC(C)(C)C.NCC(=O)NCC(=O)CCC(CCC(=O)CNC(=O)CN)(CCC(=O)CNC(=O)CN)CCC(=O)CNC(=O)CN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is MFAGFGYUGCEYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H130N12O30.C59H94N16O22.C25H44N8O8.2C19H27N3O10.3C2HF3O2.2CH4/c1-79(2,3)122-74(116)29-25-66(108)88-45-70(112)92(13)49-58(100)17-21-62(104)84-41-54(96)33-37-83(38-34-55(97)42-85-63(105)22-18-59(101)50-93(14)71(113)46-89-67(109)26-30-75(117)123-80(4,5)6,39-35-56(98)43-86-64(106)23-19-60(102)51-94(15)72(114)47-90-68(110)27-31-76(118)124-81(7,8)9)40-36-57(99)44-87-65(107)24-20-61(103)52-95(53-78(120)121-16)73(115)48-91-69(111)28-32-77(119)125-82(10,11)12;1-72(54(92)29-68-50(88)21-60)33-42(80)5-9-46(84)64-25-38(76)13-17-59(18-14-39(77)26-65-47(85)10-6-43(81)34-73(2)55(93)30-69-51(89)22-61,19-15-40(78)27-66-48(86)11-7-44(82)35-74(3)56(94)31-70-52(90)23-62)20-16-41(79)28-67-49(87)12-8-45(83)36-75(37-58(96)97-4)57(95)32-71-53(91)24-63;26-9-21(38)30-13-17(34)1-5-25(6-2-18(35)14-31-22(39)10-27,7-3-19(36)15-32-23(40)11-28)8-4-20(37)16-33-24(41)12-29;2*1-19(2,3)31-16(27)8-5-12(23)20-9-15(26)21(10-17(28)30-4)11-18(29)32-22-13(24)6-7-14(22)25;3*3-2(4,5)1(6)7;;/h17-53H2,1-16H3,(H,84,104)(H,85,105)(H,86,106)(H,87,107)(H,88,108)(H,89,109)(H,90,110)(H,91,111);5-37,60-63H2,1-4H3,(H,64,84)(H,65,85)(H,66,86)(H,67,87)(H,68,88)(H,69,89)(H,70,90)(H,71,91);1-16,26-29H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41);2*5-11H2,1-4H3,(H,20,23);3*(H,6,7);2*1H4.

What are the key properties of 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid)?

2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 5029.20 g/mol, XLogP of -13.02, 160 rotatable bonds, 33 hydrogen bond donors, and 91 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[9-[(2-aminoacetyl)amino]-5,5-bis[4-[(2-aminoacetyl)amino]-3-oxobutyl]-2,8-dioxononyl]acetamide;bis(tert-butyl 4-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate);tert-butyl 4-[[2-[[5-[[5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[methyl-[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-methylamino]-2-oxoethyl]amino]-4-oxobutanoate;methane;methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[5-[[9-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-5,5-bis[4-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-methylamino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]amino]acetate;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 161344945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).