(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide

C343H463ClN46O40 — CID 157193834

About (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide

(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide (PubChem CID 157193834) has the molecular formula C343H463ClN46O40 and a molecular weight of 5906.21 g/mol. Its IUPAC name is (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide.

Molecular Properties

• Compound Name: (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide
• PubChem CID: 157193834
• Molecular Formula: C343H463ClN46O40
• Molecular Weight: 5906.21 g/mol
• Exact Mass: 5901.53
• IUPAC Name: (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide
• SMILES: CC(C)C[C@@H](NC(=O)C(CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(C(=O)N2CCOCC2)CC1.CC(C)C[C@@H](NC(=O)C(CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1.CC(C)C[C@@H](NC(=O)C(CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1.CC(C)C[C@@H](NC(=O)C(CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)NC(=O)NC2=O.CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1.CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)NCc1cn2ccccc2n1.Cc1cnc(C)n1C1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@H](N)Cc2ccccc2)Cc2ccccc2)CC1
• InChI: InChI=1S/C46H60N6O5.C45H60N6O5.C45H59N5O5.C44H57ClN6O5.C42H60N6O4.C42H61N5O6.C40H52N6O4.C39H54N6O6/c1-32(2)26-40(49-44(55)37(27-33-14-6-3-7-15-33)30-42(53)39(48)28-34-16-8-4-9-17-34)43(54)29-36(20-12-13-23-47)45(56)51-24-21-38(22-25-51)52-31-41(50-46(52)57)35-18-10-5-11-19-35;1-32(2)26-39(49-42(54)36(27-33-14-6-3-7-15-33)30-40(52)38(47)28-34-16-8-4-9-17-34)41(53)29-35(18-12-13-23-46)43(55)50-24-21-45(22-25-50)44(56)48-31-51(45)37-19-10-5-11-20-37;1-31(2)25-39(48-44(54)36(26-32-13-5-3-6-14-32)29-41(51)38(47)27-33-15-7-4-8-16-33)42(52)28-35(18-11-12-22-46)45(55)49-23-20-37(21-24-49)50-40-19-10-9-17-34(40)30-43(50)53;1-29(2)23-38(48-42(54)33(24-30-11-5-3-6-12-30)27-40(52)36(47)25-31-13-7-4-8-14-31)41(53)26-32(15-9-10-20-46)43(55)50-21-18-35(19-22-50)51-39-17-16-34(45)28-37(39)49-44(51)56;1-29(2)23-38(46-41(51)35(24-32-13-7-5-8-14-32)27-39(49)37(44)25-33-15-9-6-10-16-33)40(50)26-34(17-11-12-20-43)42(52)47-21-18-36(19-22-47)48-30(3)28-45-31(48)4;1-30(2)25-37(45-40(50)35(26-31-11-5-3-6-12-31)29-38(48)36(44)27-32-13-7-4-8-14-32)39(49)28-34(15-9-10-18-43)42(52)46-19-16-33(17-20-46)41(51)47-21-23-53-24-22-47;1-28(2)21-35(37(48)24-31(17-9-11-19-41)39(49)43-26-33-27-46-20-12-10-18-38(46)44-33)45-40(50)32(22-29-13-5-3-6-14-29)25-36(47)34(42)23-30-15-7-4-8-16-30;1-26(2)21-32(34(47)24-29(15-9-10-18-40)36(49)45-19-16-39(17-20-45)37(50)43-38(51)44-39)42-35(48)30(22-27-11-5-3-6-12-27)25-33(46)31(41)23-28-13-7-4-8-14-28/h3-11,14-19,31-32,36-40H,12-13,20-30,47-48H2,1-2H3,(H,49,55)(H,50,57);3-11,14-17,19-20,32,35-36,38-39H,12-13,18,21-31,46-47H2,1-2H3,(H,48,56)(H,49,54);3-10,13-17,19,31,35-39H,11-12,18,20-30,46-47H2,1-2H3,(H,48,54);3-8,11-14,16-17,28-29,32-33,35-36,38H,9-10,15,18-27,46-47H2,1-2H3,(H,48,54)(H,49,56);5-10,13-16,28-29,34-38H,11-12,17-27,43-44H2,1-4H3,(H,46,51);3-8,11-14,30,33-37H,9-10,15-29,43-44H2,1-2H3,(H,45,50);3-8,10,12-16,18,20,27-28,31-32,34-35H,9,11,17,19,21-26,41-42H2,1-2H3,(H,43,49)(H,45,50);3-8,11-14,26,29-32H,9-10,15-25,40-41H2,1-2H3,(H,42,48)(H2,43,44,50,51)/t36-,37?,39+,40+;35-,36-,38+,39+;35-,36?,38+,39+;32-,33-,36+,38+;34-,35-,37+,38+;34-,35?,36+,37+;31-,32-,34+,35+;29-,30?,31+,32+/m00000000/s1
• InChIKey: APZWXLIRHQQPTK-DXIUZFKQSA-N
• XLogP: 37.53
• TPSA: 1344.60 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 63
• Rotatable Bonds: 161
• Heavy Atoms: 430
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5906.21
LogP ≤ 5	37.53
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide?

The IUPAC name of (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide (CID 157193834) is (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide.

What is the SMILES notation for (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide?

The canonical SMILES for (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide is CC(C)C[C@@H](NC(=O)C(CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(C(=O)N2CCOCC2)CC1.CC(C)C[C@@H](NC(=O)C(CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1.CC(C)C[C@@H](NC(=O)C(CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1.CC(C)C[C@@H](NC(=O)C(CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)NC(=O)NC2=O.CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1.CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)NCc1cn2ccccc2n1.Cc1cnc(C)n1C1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@H](N)Cc2ccccc2)Cc2ccccc2)CC1.

What is the InChIKey of (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide?

The InChIKey is APZWXLIRHQQPTK-DXIUZFKQSA-N. The full InChI is InChI=1S/C46H60N6O5.C45H60N6O5.C45H59N5O5.C44H57ClN6O5.C42H60N6O4.C42H61N5O6.C40H52N6O4.C39H54N6O6/c1-32(2)26-40(49-44(55)37(27-33-14-6-3-7-15-33)30-42(53)39(48)28-34-16-8-4-9-17-34)43(54)29-36(20-12-13-23-47)45(56)51-24-21-38(22-25-51)52-31-41(50-46(52)57)35-18-10-5-11-19-35;1-32(2)26-39(49-42(54)36(27-33-14-6-3-7-15-33)30-40(52)38(47)28-34-16-8-4-9-17-34)41(53)29-35(18-12-13-23-46)43(55)50-24-21-45(22-25-50)44(56)48-31-51(45)37-19-10-5-11-20-37;1-31(2)25-39(48-44(54)36(26-32-13-5-3-6-14-32)29-41(51)38(47)27-33-15-7-4-8-16-33)42(52)28-35(18-11-12-22-46)45(55)49-23-20-37(21-24-49)50-40-19-10-9-17-34(40)30-43(50)53;1-29(2)23-38(48-42(54)33(24-30-11-5-3-6-12-30)27-40(52)36(47)25-31-13-7-4-8-14-31)41(53)26-32(15-9-10-20-46)43(55)50-21-18-35(19-22-50)51-39-17-16-34(45)28-37(39)49-44(51)56;1-29(2)23-38(46-41(51)35(24-32-13-7-5-8-14-32)27-39(49)37(44)25-33-15-9-6-10-16-33)40(50)26-34(17-11-12-20-43)42(52)47-21-18-36(19-22-47)48-30(3)28-45-31(48)4;1-30(2)25-37(45-40(50)35(26-31-11-5-3-6-12-31)29-38(48)36(44)27-32-13-7-4-8-14-32)39(49)28-34(15-9-10-18-43)42(52)46-19-16-33(17-20-46)41(51)47-21-23-53-24-22-47;1-28(2)21-35(37(48)24-31(17-9-11-19-41)39(49)43-26-33-27-46-20-12-10-18-38(46)44-33)45-40(50)32(22-29-13-5-3-6-14-29)25-36(47)34(42)23-30-15-7-4-8-16-30;1-26(2)21-32(34(47)24-29(15-9-10-18-40)36(49)45-19-16-39(17-20-45)37(50)43-38(51)44-39)42-35(48)30(22-27-11-5-3-6-12-27)25-33(46)31(41)23-28-13-7-4-8-14-28/h3-11,14-19,31-32,36-40H,12-13,20-30,47-48H2,1-2H3,(H,49,55)(H,50,57);3-11,14-17,19-20,32,35-36,38-39H,12-13,18,21-31,46-47H2,1-2H3,(H,48,56)(H,49,54);3-10,13-17,19,31,35-39H,11-12,18,20-30,46-47H2,1-2H3,(H,48,54);3-8,11-14,16-17,28-29,32-33,35-36,38H,9-10,15,18-27,46-47H2,1-2H3,(H,48,54)(H,49,56);5-10,13-16,28-29,34-38H,11-12,17-27,43-44H2,1-4H3,(H,46,51);3-8,11-14,30,33-37H,9-10,15-29,43-44H2,1-2H3,(H,45,50);3-8,10,12-16,18,20,27-28,31-32,34-35H,9,11,17,19,21-26,41-42H2,1-2H3,(H,43,49)(H,45,50);3-8,11-14,26,29-32H,9-10,15-25,40-41H2,1-2H3,(H,42,48)(H2,43,44,50,51)/t36-,37?,39+,40+;35-,36-,38+,39+;35-,36?,38+,39+;32-,33-,36+,38+;34-,35-,37+,38+;34-,35?,36+,37+;31-,32-,34+,35+;29-,30?,31+,32+/m00000000/s1.

What are the key properties of (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide?

(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide has a molecular weight of 5906.21 g/mol, XLogP of 37.53, 161 rotatable bonds, 30 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(2,5-dimethylimidazol-1-yl)piperidine-1-carbonyl]-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methyl-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-7-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-5-oxoundecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide;(2S,5R)-5-[[(2S,5R)-5-amino-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-2-(4-aminobutyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyl-4-oxooctanamide is sourced from PubChem (CID 157193834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).