N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

C200H260N60O40S8 — CID 161101436

IUPACN-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(=O)[C@@H]1CSSC[C@H](NC(=O)CN2C(=O)CNC2=O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1.CC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CN2C(=O)CNC2=O)CSSC1(C)C.CCCC[C@@H]1NC(=O)N(CC(=O)N[C@H]2CSSC(C)(C)[C@@H](C(C)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](C)NC2=O)C1=O.CCCC[C@@H]1NC(=O)N(CC(=O)N[C@H]2CSSC[C@@H](C(C)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](C)NC2=O)C1=O
InChIInChI=1S/C53H71N15O10S2.C51H67N15O10S2.C49H63N15O10S2.C47H59N15O10S2/c1-6-7-17-37-50(77)68(52(78)66-37)26-42(70)61-41-27-79-80-53(4,5)43(30(3)69)67-48(75)39(22-32-24-58-35-18-12-11-16-34(32)35)65-45(72)36(19-13-20-57-51(54)55)62-46(73)38(21-31-14-9-8-10-15-31)64-47(74)40(23-33-25-56-28-59-33)63-44(71)29(2)60-49(41)76;1-4-5-15-36-49(75)66(51(76)65-36)24-42(68)59-41-26-78-77-25-40(29(3)67)64-46(72)38(20-31-22-56-34-16-10-9-14-33(31)34)63-44(70)35(17-11-18-55-50(52)53)60-45(71)37(19-30-12-7-6-8-13-30)62-47(73)39(21-32-23-54-27-57-32)61-43(69)28(2)58-48(41)74;1-26-41(68)60-36(19-30-21-52-25-56-30)44(71)61-34(17-28-11-6-5-7-12-28)43(70)59-33(15-10-16-53-47(50)51)42(69)62-35(18-29-20-54-32-14-9-8-13-31(29)32)45(72)63-40(27(2)65)49(3,4)76-75-24-37(46(73)57-26)58-38(66)23-64-39(67)22-55-48(64)74;1-25-40(66)58-35(17-29-19-50-24-54-29)44(70)59-33(15-27-9-4-3-5-10-27)42(68)57-32(13-8-14-51-46(48)49)41(67)60-34(16-28-18-52-31-12-7-6-11-30(28)31)43(69)61-36(26(2)63)22-73-74-23-37(45(71)55-25)56-38(64)21-62-39(65)20-53-47(62)72/h8-12,14-16,18,24-25,28-29,36-41,43,58H,6-7,13,17,19-23,26-27H2,1-5H3,(H,56,59)(H,60,76)(H,61,70)(H,62,73)(H,63,71)(H,64,74)(H,65,72)(H,66,78)(H,67,75)(H4,54,55,57);6-10,12-14,16,22-23,27-28,35-41,56H,4-5,11,15,17-21,24-26H2,1-3H3,(H,54,57)(H,58,74)(H,59,68)(H,60,71)(H,61,69)(H,62,73)(H,63,70)(H,64,72)(H,65,76)(H4,52,53,55);5-9,11-14,20-21,25-26,33-37,40,54H,10,15-19,22-24H2,1-4H3,(H,52,56)(H,55,74)(H,57,73)(H,58,66)(H,59,70)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,53);3-7,9-12,18-19,24-25,32-37,52H,8,13-17,20-23H2,1-2H3,(H,50,54)(H,53,72)(H,55,71)(H,56,64)(H,57,68)(H,58,66)(H,59,70)(H,60,67)(H,61,69)(H4,48,49,51)/t29-,36+,37+,38-,39+,40+,41+,43-;28-,35+,36+,37-,38+,39+,40+,41+;26-,33+,34-,35+,36+,37+,40-;25-,32+,33-,34+,35+,36+,37+/m1111/s1
InChIKeyUIMAXMOLPABYLC-RCKWRSPCSA-N
MW4401.20 g/mol
LogP-3.64
Rot. Bonds62

About N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 161101436) has the molecular formula C200H260N60O40S8 and a molecular weight of 4401.20 g/mol. Its IUPAC name is N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID161101436
Molecular FormulaC200H260N60O40S8
Molecular Weight4401.20 g/mol
Exact Mass4397.79
IUPAC NameN-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(=O)[C@@H]1CSSC[C@H](NC(=O)CN2C(=O)CNC2=O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1.CC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CN2C(=O)CNC2=O)CSSC1(C)C.CCCC[C@@H]1NC(=O)N(CC(=O)N[C@H]2CSSC(C)(C)[C@@H](C(C)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](C)NC2=O)C1=O.CCCC[C@@H]1NC(=O)N(CC(=O)N[C@H]2CSSC[C@@H](C(C)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](C)NC2=O)C1=O
InChIInChI=1S/C53H71N15O10S2.C51H67N15O10S2.C49H63N15O10S2.C47H59N15O10S2/c1-6-7-17-37-50(77)68(52(78)66-37)26-42(70)61-41-27-79-80-53(4,5)43(30(3)69)67-48(75)39(22-32-24-58-35-18-12-11-16-34(32)35)65-45(72)36(19-13-20-57-51(54)55)62-46(73)38(21-31-14-9-8-10-15-31)64-47(74)40(23-33-25-56-28-59-33)63-44(71)29(2)60-49(41)76;1-4-5-15-36-49(75)66(51(76)65-36)24-42(68)59-41-26-78-77-25-40(29(3)67)64-46(72)38(20-31-22-56-34-16-10-9-14-33(31)34)63-44(70)35(17-11-18-55-50(52)53)60-45(71)37(19-30-12-7-6-8-13-30)62-47(73)39(21-32-23-54-27-57-32)61-43(69)28(2)58-48(41)74;1-26-41(68)60-36(19-30-21-52-25-56-30)44(71)61-34(17-28-11-6-5-7-12-28)43(70)59-33(15-10-16-53-47(50)51)42(69)62-35(18-29-20-54-32-14-9-8-13-31(29)32)45(72)63-40(27(2)65)49(3,4)76-75-24-37(46(73)57-26)58-38(66)23-64-39(67)22-55-48(64)74;1-25-40(66)58-35(17-29-19-50-24-54-29)44(70)59-33(15-27-9-4-3-5-10-27)42(68)57-32(13-8-14-51-46(48)49)41(67)60-34(16-28-18-52-31-12-7-6-11-30(28)31)43(69)61-36(26(2)63)22-73-74-23-37(45(71)55-25)56-38(64)21-62-39(65)20-53-47(62)72/h8-12,14-16,18,24-25,28-29,36-41,43,58H,6-7,13,17,19-23,26-27H2,1-5H3,(H,56,59)(H,60,76)(H,61,70)(H,62,73)(H,63,71)(H,64,74)(H,65,72)(H,66,78)(H,67,75)(H4,54,55,57);6-10,12-14,16,22-23,27-28,35-41,56H,4-5,11,15,17-21,24-26H2,1-3H3,(H,54,57)(H,58,74)(H,59,68)(H,60,71)(H,61,69)(H,62,73)(H,63,70)(H,64,72)(H,65,76)(H4,52,53,55);5-9,11-14,20-21,25-26,33-37,40,54H,10,15-19,22-24H2,1-4H3,(H,52,56)(H,55,74)(H,57,73)(H,58,66)(H,59,70)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,53);3-7,9-12,18-19,24-25,32-37,52H,8,13-17,20-23H2,1-2H3,(H,50,54)(H,53,72)(H,55,71)(H,56,64)(H,57,68)(H,58,66)(H,59,70)(H,60,67)(H,61,69)(H4,48,49,51)/t29-,36+,37+,38-,39+,40+,41+,43-;28-,35+,36+,37-,38+,39+,40+,41+;26-,33+,34-,35+,36+,37+,40-;25-,32+,33-,34+,35+,36+,37+/m1111/s1
InChIKeyUIMAXMOLPABYLC-RCKWRSPCSA-N
XLogP-3.64
TPSA1516.20 Ų
H-Bond Donors48
H-Bond Acceptors56
Rotatable Bonds62
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004401.20
LogP ≤ 5-3.64
H-Bond Donors ≤ 548
H-Bond Acceptors ≤ 1056

Analyze N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide with MolForge

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Related Compounds

3-[(4R,7S,10S,13R,16S,19S,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-22-[[2-[(4R)-4-[3-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-19-yl]propanoic acid;3-[(4R,7S,10S,13R,16S,19S,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-22-(2,5-dioxoimidazolidin-1-yl)-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-19-yl]propanoic acid;3-[(4R,7S,10S,13R,16S,19S,22R)-4-acetyl-22-[[2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-13-(naphthalen-2-ylmethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-19-yl]propanoic acid
CID 158115136
3-[(4R,7S,10S,13R,16S,19S,22R)-4-acetyl-22-[[2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-13-(naphthalen-2-ylmethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-19-yl]propanoic acid
CID 59409658
(7S,10S,16S,19R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide
CID 165364078
(10S,16S,19R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide;acetic acid
CID 171703369
(4R,7S,10R,13S,16R,19S,22R)-22-[[(2S)-2-acetamidohexanoyl]amino]-16-benzyl-7-butyl-13-[3-(diaminomethylideneamino)propyl]-19-(1H-imidazol-5-ylmethyl)-10-(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide
CID 175713676
(4R,7S,10S,13R,16S,19R,22R)-22-[[(2S)-2-acetamidohexanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19,23,23-pentamethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide
CID 175713726
(4R,10S,13R,16S,19R,22R)-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-22-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide
CID 130410776
3-[(4R,7S,10S,13R,16S,19S,22R)-13-benzyl-4-carbamoyl-10-[3-(diaminomethylideneamino)propyl]-22-[[(2S)-2-(2-hydroxy-5-oxoimidazolidin-1-yl)hexanoyl]amino]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-19-yl]propanoic acid
CID 134470373
(4R,7S,10S,13R,16S,19S)-19-acetamido-13-[(4-chlorophenyl)methyl]-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacyclohenicosane-4-carboxamide
CID 11815503
[13-benzyl-22-[[2-(4-butan-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-10-[(diaminomethylideneamino)methyliodanuidylmethyl]-16-(1H-imidazol-5-ylmethyl)-7-[2-(1H-indol-3-yl)ethyl]-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]azanium
CID 163596607
28-acetamido-25-butyl-13,22-bis[3-(diaminomethylideneamino)propyl]-19-(1H-imidazol-5-ylmethyl)-10-(1H-indol-3-ylmethyl)-16-(naphthalen-2-ylmethyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carboxamide
CID 139600795
(4R,10S,13S,16R,22S,25S,28R)-28-acetamido-25-butyl-13,22-bis[3-(diaminomethylideneamino)propyl]-19-(1H-imidazol-5-ylmethyl)-10-(1H-indol-3-ylmethyl)-16-(naphthalen-2-ylmethyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carboxamide
CID 175663184

Frequently Asked Questions

What is the IUPAC name of N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 161101436) is N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is CC(=O)[C@@H]1CSSC[C@H](NC(=O)CN2C(=O)CNC2=O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1.CC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CN2C(=O)CNC2=O)CSSC1(C)C.CCCC[C@@H]1NC(=O)N(CC(=O)N[C@H]2CSSC(C)(C)[C@@H](C(C)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](C)NC2=O)C1=O.CCCC[C@@H]1NC(=O)N(CC(=O)N[C@H]2CSSC[C@@H](C(C)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](C)NC2=O)C1=O.
What is the InChIKey of N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is UIMAXMOLPABYLC-RCKWRSPCSA-N. The full InChI is InChI=1S/C53H71N15O10S2.C51H67N15O10S2.C49H63N15O10S2.C47H59N15O10S2/c1-6-7-17-37-50(77)68(52(78)66-37)26-42(70)61-41-27-79-80-53(4,5)43(30(3)69)67-48(75)39(22-32-24-58-35-18-12-11-16-34(32)35)65-45(72)36(19-13-20-57-51(54)55)62-46(73)38(21-31-14-9-8-10-15-31)64-47(74)40(23-33-25-56-28-59-33)63-44(71)29(2)60-49(41)76;1-4-5-15-36-49(75)66(51(76)65-36)24-42(68)59-41-26-78-77-25-40(29(3)67)64-46(72)38(20-31-22-56-34-16-10-9-14-33(31)34)63-44(70)35(17-11-18-55-50(52)53)60-45(71)37(19-30-12-7-6-8-13-30)62-47(73)39(21-32-23-54-27-57-32)61-43(69)28(2)58-48(41)74;1-26-41(68)60-36(19-30-21-52-25-56-30)44(71)61-34(17-28-11-6-5-7-12-28)43(70)59-33(15-10-16-53-47(50)51)42(69)62-35(18-29-20-54-32-14-9-8-13-31(29)32)45(72)63-40(27(2)65)49(3,4)76-75-24-37(46(73)57-26)58-38(66)23-64-39(67)22-55-48(64)74;1-25-40(66)58-35(17-29-19-50-24-54-29)44(70)59-33(15-27-9-4-3-5-10-27)42(68)57-32(13-8-14-51-46(48)49)41(67)60-34(16-28-18-52-31-12-7-6-11-30(28)31)43(69)61-36(26(2)63)22-73-74-23-37(45(71)55-25)56-38(64)21-62-39(65)20-53-47(62)72/h8-12,14-16,18,24-25,28-29,36-41,43,58H,6-7,13,17,19-23,26-27H2,1-5H3,(H,56,59)(H,60,76)(H,61,70)(H,62,73)(H,63,71)(H,64,74)(H,65,72)(H,66,78)(H,67,75)(H4,54,55,57);6-10,12-14,16,22-23,27-28,35-41,56H,4-5,11,15,17-21,24-26H2,1-3H3,(H,54,57)(H,58,74)(H,59,68)(H,60,71)(H,61,69)(H,62,73)(H,63,70)(H,64,72)(H,65,76)(H4,52,53,55);5-9,11-14,20-21,25-26,33-37,40,54H,10,15-19,22-24H2,1-4H3,(H,52,56)(H,55,74)(H,57,73)(H,58,66)(H,59,70)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,53);3-7,9-12,18-19,24-25,32-37,52H,8,13-17,20-23H2,1-2H3,(H,50,54)(H,53,72)(H,55,71)(H,56,64)(H,57,68)(H,58,66)(H,59,70)(H,60,67)(H,61,69)(H4,48,49,51)/t29-,36+,37+,38-,39+,40+,41+,43-;28-,35+,36+,37-,38+,39+,40+,41+;26-,33+,34-,35+,36+,37+,40-;25-,32+,33-,34+,35+,36+,37+/m1111/s1.
What are the key properties of N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 4401.20 g/mol, XLogP of -3.64, 62 rotatable bonds, 48 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-[(4S)-4-butyl-2,5-dioxoimidazolidin-1-yl]acetamide;N-[(4R,7S,10S,13R,16S,19R,22R)-4-acetyl-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3,19-trimethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 161101436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).