bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide

C249H398N60O44 — CID 159509379

IUPACbis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide
SMILESCC(=O)NC1CCCC1C(=O)N[C@H](CC(=O)NC1CCCC1C(=O)NC[C@H](C)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(N)=O)Cc1ccccc1)CC(C)C.CC(=O)NC1CCCC1C(=O)N[C@H](CC(=O)NC1CCCC1C(=O)NC[C@H](CC(C)C)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(N)=O)Cc1ccccc1)CC(C)C.CC(=O)NC1CCCC1C(=O)N[C@H](CC(=O)NC1CCCC1C(=O)NC[C@H](CC(C)C)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(N)=O)Cc1ccccc1)CC(C)C.CNC1CCCC1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(=O)NC1CNCC1C(N)=O)C(C)C.CNC1CCCC1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(=O)NC1CNCC1C(N)=O)C(C)C.CNC1CCCC1C(=O)N[C@@H](C)CC(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(=O)NC1CNCC1C(N)=O)C(C)C
InChIInChI=1S/2C48H76N10O8.C45H70N10O8.2C38H60N10O7.C32H56N10O6/c2*1-27(2)17-31(22-52-45(63)34-13-9-16-39(34)56-43(61)21-32(18-28(3)4)54-46(64)35-14-10-15-38(35)53-29(5)59)44(62)57-40-25-51-24-37(40)48(66)58-41-26-50-23-36(41)47(65)55-33(20-42(49)60)19-30-11-7-6-8-12-30;1-25(2)16-29(51-43(61)32-13-9-14-35(32)50-27(4)56)19-40(58)53-36-15-8-12-31(36)42(60)49-20-26(3)41(59)54-37-23-48-22-34(37)45(63)55-38-24-47-21-33(38)44(62)52-30(18-39(46)57)17-28-10-6-5-7-11-28;2*1-20(2)29(12-33(50)45-30-17-41-14-25(30)34(39)51)46-37(54)27-16-43-19-32(27)48-38(55)26-15-42-18-31(26)47-35(52)22(11-21-7-9-23(49)10-8-21)13-44-36(53)24-5-4-6-28(24)40-3;1-16(2)23(9-28(44)39-24-13-35-10-19(24)29(33)45)41-31(47)21-12-37-15-26(21)42-32(48)20-11-36-14-25(20)40-27(43)8-17(3)38-30(46)18-6-5-7-22(18)34-4/h2*6-8,11-12,27-28,31-41,50-51H,9-10,13-26H2,1-5H3,(H2,49,60)(H,52,63)(H,53,59)(H,54,64)(H,55,65)(H,56,61)(H,57,62)(H,58,66);5-7,10-11,25-26,29-38,47-48H,8-9,12-24H2,1-4H3,(H2,46,57)(H,49,60)(H,50,56)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,55,63);2*7-10,20,22,24-32,40-43,49H,4-6,11-19H2,1-3H3,(H2,39,51)(H,44,53)(H,45,50)(H,46,54)(H,47,52)(H,48,55);16-26,34-37H,5-15H2,1-4H3,(H2,33,45)(H,38,46)(H,39,44)(H,40,43)(H,41,47)(H,42,48)/t2*31-,32-,33-,34?,35?,36?,37?,38?,39?,40?,41?;26-,29-,30-,31?,32?,33?,34?,35?,36?,37?,38?;2*22-,24?,25?,26?,27?,28?,29+,30?,31?,32?;17-,18?,19?,20?,21?,22?,23+,24?,25?,26?/m000000/s1
InChIKeyMAKDECKQOGPXAK-UUCDTWOESA-N
MW4936.30 g/mol
LogP-9.40
Rot. Bonds116

About bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide

bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide (PubChem CID 159509379) has the molecular formula C249H398N60O44 and a molecular weight of 4936.30 g/mol. Its IUPAC name is bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Namebis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide
PubChem CID159509379
Molecular FormulaC249H398N60O44
Molecular Weight4936.30 g/mol
Exact Mass4933.08
IUPAC Namebis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide
SMILESCC(=O)NC1CCCC1C(=O)N[C@H](CC(=O)NC1CCCC1C(=O)NC[C@H](C)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(N)=O)Cc1ccccc1)CC(C)C.CC(=O)NC1CCCC1C(=O)N[C@H](CC(=O)NC1CCCC1C(=O)NC[C@H](CC(C)C)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(N)=O)Cc1ccccc1)CC(C)C.CC(=O)NC1CCCC1C(=O)N[C@H](CC(=O)NC1CCCC1C(=O)NC[C@H](CC(C)C)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(N)=O)Cc1ccccc1)CC(C)C.CNC1CCCC1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(=O)NC1CNCC1C(N)=O)C(C)C.CNC1CCCC1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(=O)NC1CNCC1C(N)=O)C(C)C.CNC1CCCC1C(=O)N[C@@H](C)CC(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(=O)NC1CNCC1C(N)=O)C(C)C
InChIInChI=1S/2C48H76N10O8.C45H70N10O8.2C38H60N10O7.C32H56N10O6/c2*1-27(2)17-31(22-52-45(63)34-13-9-16-39(34)56-43(61)21-32(18-28(3)4)54-46(64)35-14-10-15-38(35)53-29(5)59)44(62)57-40-25-51-24-37(40)48(66)58-41-26-50-23-36(41)47(65)55-33(20-42(49)60)19-30-11-7-6-8-12-30;1-25(2)16-29(51-43(61)32-13-9-14-35(32)50-27(4)56)19-40(58)53-36-15-8-12-31(36)42(60)49-20-26(3)41(59)54-37-23-48-22-34(37)45(63)55-38-24-47-21-33(38)44(62)52-30(18-39(46)57)17-28-10-6-5-7-11-28;2*1-20(2)29(12-33(50)45-30-17-41-14-25(30)34(39)51)46-37(54)27-16-43-19-32(27)48-38(55)26-15-42-18-31(26)47-35(52)22(11-21-7-9-23(49)10-8-21)13-44-36(53)24-5-4-6-28(24)40-3;1-16(2)23(9-28(44)39-24-13-35-10-19(24)29(33)45)41-31(47)21-12-37-15-26(21)42-32(48)20-11-36-14-25(20)40-27(43)8-17(3)38-30(46)18-6-5-7-22(18)34-4/h2*6-8,11-12,27-28,31-41,50-51H,9-10,13-26H2,1-5H3,(H2,49,60)(H,52,63)(H,53,59)(H,54,64)(H,55,65)(H,56,61)(H,57,62)(H,58,66);5-7,10-11,25-26,29-38,47-48H,8-9,12-24H2,1-4H3,(H2,46,57)(H,49,60)(H,50,56)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,55,63);2*7-10,20,22,24-32,40-43,49H,4-6,11-19H2,1-3H3,(H2,39,51)(H,44,53)(H,45,50)(H,46,54)(H,47,52)(H,48,55);16-26,34-37H,5-15H2,1-4H3,(H2,33,45)(H,38,46)(H,39,44)(H,40,43)(H,41,47)(H,42,48)/t2*31-,32-,33-,34?,35?,36?,37?,38?,39?,40?,41?;26-,29-,30-,31?,32?,33?,34?,35?,36?,37?,38?;2*22-,24?,25?,26?,27?,28?,29+,30?,31?,32?;17-,18?,19?,20?,21?,22?,23+,24?,25?,26?/m000000/s1
InChIKeyMAKDECKQOGPXAK-UUCDTWOESA-N
XLogP-9.40
TPSA1563.14 Ų
H-Bond Donors62
H-Bond Acceptors62
Rotatable Bonds116
Heavy Atoms353
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004936.30
LogP ≤ 5-9.40
H-Bond Donors ≤ 562
H-Bond Acceptors ≤ 1062

Analyze bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

4-[[(3S)-3-[[2-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]cyclopentanecarbonyl]amino]-5-methylhexanoyl]amino]-N-[(2S)-4-amino-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]pyrrolidine-3-carboxamide;4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]-N-[(2S)-4-[(2-carbamoylcyclopentyl)amino]-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;4-[[(3R)-3-[[4-[[4-[[(3S)-4-(4-hydroxyphenyl)-3-(methylamino)butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide;4-[[(3S)-4-(4-hydroxyphenyl)-3-[[4-[[(3S)-5-methyl-3-[[4-[[2-(methylamino)cyclopentanecarbonyl]amino]pyrrolidine-3-carbonyl]amino]hexanoyl]amino]pyrrolidine-3-carbonyl]amino]butanoyl]amino]pyrrolidine-3-carboxamide
CID 162199538
4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]-N-[(2S)-4-[(2-carbamoylcyclopentyl)amino]-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 58915843
(3S,4R)-4-[[(1S,2S)-2-[[(3S,4R)-4-[[(2S)-2-[[[(1S,2S)-2-[[(3S)-3-[[(1S,2S)-2-acetamidocyclopentanecarbonyl]amino]-4-naphthalen-2-ylbutanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]cyclopentanecarbonyl]amino]pyrrolidine-3-carboxamide
CID 89339458
4-[[(3S)-3-[[4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-4-naphthalen-1-ylbutanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-naphthalen-1-ylbutanoyl]amino]pyrrolidine-3-carboxamide
CID 58915830
(3S,4R)-4-[[(3S)-3-[[(1S,2S)-2-[[(3S,4R)-4-[[(1S,2S)-2-[[(3S,4R)-4-[[(1S,2S)-2-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-acetamido-4-phenylbutanoyl]amino]pyrrolidine-3-carbonyl]amino]-4-phenylbutanoyl]amino]cyclopentanecarbonyl]amino]pyrrolidine-3-carbonyl]amino]cyclopentanecarbonyl]amino]pyrrolidine-3-carbonyl]amino]cyclopentanecarbonyl]amino]-4-phenylbutanoyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 11549984
4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-4-naphthalen-2-ylbutanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-1-(1H-indol-3-yl)-4-oxobutan-2-yl]pyrrolidine-3-carboxamide
CID 58915862
[(5S)-5-[[(1R,2R)-2-[[(2S)-2-[[(1R,2R)-2-[[(2S)-2-[[(1R,2R)-2-[[(2S)-2-[[(3R,4S)-4-acetamidopyrrolidine-3-carbonyl]amino]propanoyl]amino]cyclopentanecarbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]cyclopentanecarbonyl]amino]-4-methylpentanoyl]amino]cyclopentanecarbonyl]amino]-6-[[(3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-methyl-1-oxohexan-3-yl]amino]-6-oxohexyl]azanium
CID 102512554
(6S)-6-[(2-acetamidocyclopentanecarbonyl)amino]-7-[[4-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[4-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-3-yl]amino]-1-oxohexan-2-yl]carbamoyl]cyclopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-3-yl]amino]-7-oxoheptanoic acid
CID 59600020
trans-(1S,2S)-N-[(1S,2S)-2-[[(3S)-7-amino-1-[[(1S,2S)-2-[[(3S)-7-amino-1-[[(1S,2S)-2-[[(3S)-1,7-diamino-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]-2-[[(3S)-3-(heptanoylamino)-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexane-1-carboxamide
CID 102280327
2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]cyclohexanecarbonyl]amino]cyclohexane-1-carboxamide
CID 59600017
trans-(1S,2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 24906157
cis-(1R,2S)-N-[(2S)-1-[[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclohexane-1-carboxamide
CID 53320159

Frequently Asked Questions

What is the IUPAC name of bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide?
The IUPAC name of bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide (CID 159509379) is bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide.
What is the SMILES notation for bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide?
The canonical SMILES for bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide is CC(=O)NC1CCCC1C(=O)N[C@H](CC(=O)NC1CCCC1C(=O)NC[C@H](C)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(N)=O)Cc1ccccc1)CC(C)C.CC(=O)NC1CCCC1C(=O)N[C@H](CC(=O)NC1CCCC1C(=O)NC[C@H](CC(C)C)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(N)=O)Cc1ccccc1)CC(C)C.CC(=O)NC1CCCC1C(=O)N[C@H](CC(=O)NC1CCCC1C(=O)NC[C@H](CC(C)C)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(N)=O)Cc1ccccc1)CC(C)C.CNC1CCCC1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(=O)NC1CNCC1C(N)=O)C(C)C.CNC1CCCC1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(=O)NC1CNCC1C(N)=O)C(C)C.CNC1CCCC1C(=O)N[C@@H](C)CC(=O)NC1CNCC1C(=O)NC1CNCC1C(=O)N[C@H](CC(=O)NC1CNCC1C(N)=O)C(C)C.
What is the InChIKey of bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide?
The InChIKey is MAKDECKQOGPXAK-UUCDTWOESA-N. The full InChI is InChI=1S/2C48H76N10O8.C45H70N10O8.2C38H60N10O7.C32H56N10O6/c2*1-27(2)17-31(22-52-45(63)34-13-9-16-39(34)56-43(61)21-32(18-28(3)4)54-46(64)35-14-10-15-38(35)53-29(5)59)44(62)57-40-25-51-24-37(40)48(66)58-41-26-50-23-36(41)47(65)55-33(20-42(49)60)19-30-11-7-6-8-12-30;1-25(2)16-29(51-43(61)32-13-9-14-35(32)50-27(4)56)19-40(58)53-36-15-8-12-31(36)42(60)49-20-26(3)41(59)54-37-23-48-22-34(37)45(63)55-38-24-47-21-33(38)44(62)52-30(18-39(46)57)17-28-10-6-5-7-11-28;2*1-20(2)29(12-33(50)45-30-17-41-14-25(30)34(39)51)46-37(54)27-16-43-19-32(27)48-38(55)26-15-42-18-31(26)47-35(52)22(11-21-7-9-23(49)10-8-21)13-44-36(53)24-5-4-6-28(24)40-3;1-16(2)23(9-28(44)39-24-13-35-10-19(24)29(33)45)41-31(47)21-12-37-15-26(21)42-32(48)20-11-36-14-25(20)40-27(43)8-17(3)38-30(46)18-6-5-7-22(18)34-4/h2*6-8,11-12,27-28,31-41,50-51H,9-10,13-26H2,1-5H3,(H2,49,60)(H,52,63)(H,53,59)(H,54,64)(H,55,65)(H,56,61)(H,57,62)(H,58,66);5-7,10-11,25-26,29-38,47-48H,8-9,12-24H2,1-4H3,(H2,46,57)(H,49,60)(H,50,56)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,55,63);2*7-10,20,22,24-32,40-43,49H,4-6,11-19H2,1-3H3,(H2,39,51)(H,44,53)(H,45,50)(H,46,54)(H,47,52)(H,48,55);16-26,34-37H,5-15H2,1-4H3,(H2,33,45)(H,38,46)(H,39,44)(H,40,43)(H,41,47)(H,42,48)/t2*31-,32-,33-,34?,35?,36?,37?,38?,39?,40?,41?;26-,29-,30-,31?,32?,33?,34?,35?,36?,37?,38?;2*22-,24?,25?,26?,27?,28?,29+,30?,31?,32?;17-,18?,19?,20?,21?,22?,23+,24?,25?,26?/m000000/s1.
What are the key properties of bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide?
bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide has a molecular weight of 4936.30 g/mol, XLogP of -9.40, 116 rotatable bonds, 62 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[[4-[[(2S)-2-[[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]methyl]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide);4-[[4-[[(2S)-3-[[2-[[(3S)-3-[(2-acetamidocyclopentanecarbonyl)amino]-5-methylhexanoyl]amino]cyclopentanecarbonyl]amino]-2-methylpropanoyl]amino]pyrrolidine-3-carbonyl]amino]-N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide;bis(4-[[(3R)-3-[[4-[[4-[[(2S)-2-[(4-hydroxyphenyl)methyl]-3-[[2-(methylamino)cyclopentanecarbonyl]amino]propanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carboxamide);4-[[(3R)-4-methyl-3-[[4-[[4-[[(3S)-3-[[2-(methylamino)cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]pentanoyl]amino]pyrrolidine-3-carboxamide is sourced from PubChem (CID 159509379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).