2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione

C151H191F18N23O19S6 — CID 160590071

IUPAC2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione
SMILESCCCC(=O)CN1C(=O)CCC1=O.[H]/N=C(\N)CCCCCC(=O)Cc1cc(C(F)(F)F)cc(CC(=O)c2cccc(C(=O)Cc3cc(C(F)(F)F)cc(CC(=O)CCCCC/C(N)=N/[H])c3SCCN)c2)c1SCCN.[H]/N=C(\N)CCCCCC(=O)Cc1cc(C(F)(F)F)cc(CC(=O)c2cccc(C(=O)Cc3cc(C(F)(F)F)cc(CC(=O)CCCCC/C(N)=N/[H])c3SCCNC(=O)CN)c2)c1SCCNC(=O)CN.[H]/N=C(\N)CCCCCC(=O)Cc1cc(C(F)(F)F)cc(CC(=O)c2cccc(C(=O)Cc3cc(C(F)(F)F)cc(CC(=O)CCCCC/C(N)=N/[H])c3SCCNC(=O)CNC)c2)c1SCCNC(=O)CNC
InChIInChI=1S/C50H64F6N8O6S2.C48H60F6N8O6S2.C44H54F6N6O4S2.C9H13NO3/c1-61-29-45(69)63-16-18-71-47-33(25-39(65)12-5-3-7-14-43(57)58)21-37(49(51,52)53)23-35(47)27-41(67)31-10-9-11-32(20-31)42(68)28-36-24-38(50(54,55)56)22-34(26-40(66)13-6-4-8-15-44(59)60)48(36)72-19-17-64-46(70)30-62-2;49-47(50,51)35-19-31(23-37(63)10-3-1-5-12-41(57)58)45(69-16-14-61-43(67)27-55)33(21-35)25-39(65)29-8-7-9-30(18-29)40(66)26-34-22-36(48(52,53)54)20-32(46(34)70-17-15-62-44(68)28-56)24-38(64)11-4-2-6-13-42(59)60;45-43(46,47)33-19-29(23-35(57)10-3-1-5-12-39(53)54)41(61-16-14-51)31(21-33)25-37(59)27-8-7-9-28(18-27)38(60)26-32-22-34(44(48,49)50)20-30(42(32)62-17-15-52)24-36(58)11-4-2-6-13-40(55)56;1-2-3-7(11)6-10-8(12)4-5-9(10)13/h9-11,20-24,61-62H,3-8,12-19,25-30H2,1-2H3,(H3,57,58)(H3,59,60)(H,63,69)(H,64,70);7-9,18-22H,1-6,10-17,23-28,55-56H2,(H3,57,58)(H3,59,60)(H,61,67)(H,62,68);7-9,18-22H,1-6,10-17,23-26,51-52H2,(H3,53,54)(H3,55,56);2-6H2,1H3
InChIKeyRCWXSXSPSXFUQX-UHFFFAOYSA-N
MW3166.70 g/mol
LogP23.51
Rot. Bonds98

About 2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione

2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione (PubChem CID 160590071) has the molecular formula C151H191F18N23O19S6 and a molecular weight of 3166.70 g/mol. Its IUPAC name is 2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione
PubChem CID160590071
Molecular FormulaC151H191F18N23O19S6
Molecular Weight3166.70 g/mol
Exact Mass3164.27
IUPAC Name2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione
SMILESCCCC(=O)CN1C(=O)CCC1=O.[H]/N=C(\N)CCCCCC(=O)Cc1cc(C(F)(F)F)cc(CC(=O)c2cccc(C(=O)Cc3cc(C(F)(F)F)cc(CC(=O)CCCCC/C(N)=N/[H])c3SCCN)c2)c1SCCN.[H]/N=C(\N)CCCCCC(=O)Cc1cc(C(F)(F)F)cc(CC(=O)c2cccc(C(=O)Cc3cc(C(F)(F)F)cc(CC(=O)CCCCC/C(N)=N/[H])c3SCCNC(=O)CN)c2)c1SCCNC(=O)CN.[H]/N=C(\N)CCCCCC(=O)Cc1cc(C(F)(F)F)cc(CC(=O)c2cccc(C(=O)Cc3cc(C(F)(F)F)cc(CC(=O)CCCCC/C(N)=N/[H])c3SCCNC(=O)CNC)c2)c1SCCNC(=O)CNC
InChIInChI=1S/C50H64F6N8O6S2.C48H60F6N8O6S2.C44H54F6N6O4S2.C9H13NO3/c1-61-29-45(69)63-16-18-71-47-33(25-39(65)12-5-3-7-14-43(57)58)21-37(49(51,52)53)23-35(47)27-41(67)31-10-9-11-32(20-31)42(68)28-36-24-38(50(54,55)56)22-34(26-40(66)13-6-4-8-15-44(59)60)48(36)72-19-17-64-46(70)30-62-2;49-47(50,51)35-19-31(23-37(63)10-3-1-5-12-41(57)58)45(69-16-14-61-43(67)27-55)33(21-35)25-39(65)29-8-7-9-30(18-29)40(66)26-34-22-36(48(52,53)54)20-32(46(34)70-17-15-62-44(68)28-56)24-38(64)11-4-2-6-13-42(59)60;45-43(46,47)33-19-29(23-35(57)10-3-1-5-12-39(53)54)41(61-16-14-51)31(21-33)25-37(59)27-8-7-9-28(18-27)38(60)26-32-22-34(44(48,49)50)20-30(42(32)62-17-15-52)24-36(58)11-4-2-6-13-40(55)56;1-2-3-7(11)6-10-8(12)4-5-9(10)13/h9-11,20-24,61-62H,3-8,12-19,25-30H2,1-2H3,(H3,57,58)(H3,59,60)(H,63,69)(H,64,70);7-9,18-22H,1-6,10-17,23-28,55-56H2,(H3,57,58)(H3,59,60)(H,61,67)(H,62,68);7-9,18-22H,1-6,10-17,23-26,51-52H2,(H3,53,54)(H3,55,56);2-6H2,1H3
InChIKeyRCWXSXSPSXFUQX-UHFFFAOYSA-N
XLogP23.51
TPSA803.05 Ų
H-Bond Donors22
H-Bond Acceptors37
Rotatable Bonds98
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003166.70
LogP ≤ 523.51
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione 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

2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide
CID 160590073
N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide
CID 160590074

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione?
The IUPAC name of 2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione (CID 160590071) is 2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione is CCCC(=O)CN1C(=O)CCC1=O.[H]/N=C(\N)CCCCCC(=O)Cc1cc(C(F)(F)F)cc(CC(=O)c2cccc(C(=O)Cc3cc(C(F)(F)F)cc(CC(=O)CCCCC/C(N)=N/[H])c3SCCN)c2)c1SCCN.[H]/N=C(\N)CCCCCC(=O)Cc1cc(C(F)(F)F)cc(CC(=O)c2cccc(C(=O)Cc3cc(C(F)(F)F)cc(CC(=O)CCCCC/C(N)=N/[H])c3SCCNC(=O)CN)c2)c1SCCNC(=O)CN.[H]/N=C(\N)CCCCCC(=O)Cc1cc(C(F)(F)F)cc(CC(=O)c2cccc(C(=O)Cc3cc(C(F)(F)F)cc(CC(=O)CCCCC/C(N)=N/[H])c3SCCNC(=O)CNC)c2)c1SCCNC(=O)CNC.
What is the InChIKey of 2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione?
The InChIKey is RCWXSXSPSXFUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H64F6N8O6S2.C48H60F6N8O6S2.C44H54F6N6O4S2.C9H13NO3/c1-61-29-45(69)63-16-18-71-47-33(25-39(65)12-5-3-7-14-43(57)58)21-37(49(51,52)53)23-35(47)27-41(67)31-10-9-11-32(20-31)42(68)28-36-24-38(50(54,55)56)22-34(26-40(66)13-6-4-8-15-44(59)60)48(36)72-19-17-64-46(70)30-62-2;49-47(50,51)35-19-31(23-37(63)10-3-1-5-12-41(57)58)45(69-16-14-61-43(67)27-55)33(21-35)25-39(65)29-8-7-9-30(18-29)40(66)26-34-22-36(48(52,53)54)20-32(46(34)70-17-15-62-44(68)28-56)24-38(64)11-4-2-6-13-42(59)60;45-43(46,47)33-19-29(23-35(57)10-3-1-5-12-39(53)54)41(61-16-14-51)31(21-33)25-37(59)27-8-7-9-28(18-27)38(60)26-32-22-34(44(48,49)50)20-30(42(32)62-17-15-52)24-36(58)11-4-2-6-13-40(55)56;1-2-3-7(11)6-10-8(12)4-5-9(10)13/h9-11,20-24,61-62H,3-8,12-19,25-30H2,1-2H3,(H3,57,58)(H3,59,60)(H,63,69)(H,64,70);7-9,18-22H,1-6,10-17,23-28,55-56H2,(H3,57,58)(H3,59,60)(H,61,67)(H,62,68);7-9,18-22H,1-6,10-17,23-26,51-52H2,(H3,53,54)(H3,55,56);2-6H2,1H3.
What are the key properties of 2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione?
2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione has a molecular weight of 3166.70 g/mol, XLogP of 23.51, 98 rotatable bonds, 22 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-[2-[3-[2-[2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-6-(8-amino-8-imino-2-oxooctyl)-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide;8-[2-(2-aminoethylsulfanyl)-3-[2-[3-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-7-oxooctanimidamide;N-[2-[2-(8-amino-8-imino-2-oxooctyl)-6-[2-[3-[2-[3-(8-amino-8-imino-2-oxooctyl)-2-[2-[[2-(methylamino)acetyl]amino]ethylsulfanyl]-5-(trifluoromethyl)phenyl]acetyl]phenyl]-2-oxoethyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(methylamino)acetamide;1-(2-oxopentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 160590071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).