(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide

C315H437F3N40O41S5 — CID 158824522

IUPAC(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide
SMILESCC(C)C[C@@H](NC(=O)C(CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCN(S(C)(=O)=O)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)N1CCC(S(=O)(=O)N(C)C)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)N1CCN(C(=O)c2ccccc2)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)N1CCN(S(=O)(=O)c2ccccc2)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)N1CCN(c2ccccn2)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)N1CCN(c2nccs2)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)N1CCS(=O)(=O)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)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C43H57N5O5.C42H57N5O6S.C41H56N6O4.C39H54N6O4S.C39H59N5O6S.C38H47F3N4O4.C37H55N5O6S.C36H52N4O6S/c1-31(2)26-38(46-41(51)36(27-32-14-6-3-7-15-32)30-39(49)37(45)28-33-16-8-4-9-17-33)40(50)29-35(20-12-13-21-44)43(53)48-24-22-47(23-25-48)42(52)34-18-10-5-11-19-34;1-31(2)26-38(45-41(50)35(27-32-14-6-3-7-15-32)30-39(48)37(44)28-33-16-8-4-9-17-33)40(49)29-34(18-12-13-21-43)42(51)46-22-24-47(25-23-46)54(52,53)36-19-10-5-11-20-36;1-30(2)25-36(38(49)28-33(17-9-11-19-42)41(51)47-23-21-46(22-24-47)39-18-10-12-20-44-39)45-40(50)34(26-31-13-5-3-6-14-31)29-37(48)35(43)27-32-15-7-4-8-16-32;1-28(2)23-34(36(47)26-31(15-9-10-16-40)38(49)44-18-20-45(21-19-44)39-42-17-22-50-39)43-37(48)32(24-29-11-5-3-6-12-29)27-35(46)33(41)25-30-13-7-4-8-14-30;1-28(2)23-35(37(46)26-31(17-11-12-20-40)39(48)44-21-18-33(19-22-44)51(49,50)43(3)4)42-38(47)32(24-29-13-7-5-8-14-29)27-36(45)34(41)25-30-15-9-6-10-16-30;1-25(2)19-32(34(47)22-28(15-9-10-18-42)36(48)29-16-17-35(44-24-29)38(39,40)41)45-37(49)30(20-26-11-5-3-6-12-26)23-33(46)31(43)21-27-13-7-4-8-14-27;1-27(2)22-33(35(44)25-30(16-10-11-17-38)37(46)41-18-20-42(21-19-41)49(3,47)48)40-36(45)31(23-28-12-6-4-7-13-28)26-34(43)32(39)24-29-14-8-5-9-15-29;1-26(2)21-32(34(42)24-29(15-9-10-16-37)36(44)40-17-19-47(45,46)20-18-40)39-35(43)30(22-27-11-5-3-6-12-27)25-33(41)31(38)23-28-13-7-4-8-14-28/h3-11,14-19,31,35-38H,12-13,20-30,44-45H2,1-2H3,(H,46,51);3-11,14-17,19-20,31,34-35,37-38H,12-13,18,21-30,43-44H2,1-2H3,(H,45,50);3-8,10,12-16,18,20,30,33-36H,9,11,17,19,21-29,42-43H2,1-2H3,(H,45,50);3-8,11-14,17,22,28,31-34H,9-10,15-16,18-21,23-27,40-41H2,1-2H3,(H,43,48);5-10,13-16,28,31-35H,11-12,17-27,40-41H2,1-4H3,(H,42,47);3-8,11-14,16-17,24-25,28,30-32H,9-10,15,18-23,42-43H2,1-2H3,(H,45,49);4-9,12-15,27,30-33H,10-11,16-26,38-39H2,1-3H3,(H,40,45);3-8,11-14,26,29-32H,9-10,15-25,37-38H2,1-2H3,(H,39,43)/t35-,36-,37+,38+;34-,35-,37+,38+;33-,34-,35+,36+;31-,32-,33+,34+;31-,32-,34+,35+;28-,30-,31+,32+;30-,31?,32+,33+;29-,30-,31+,32+/m00000000/s1
InChIKeyIWHFYOPHODUHPU-CCHQEYGGSA-N
MW5657.53 g/mol
LogP32.49
Rot. Bonds161

About (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide

(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide (PubChem CID 158824522) has the molecular formula C315H437F3N40O41S5 and a molecular weight of 5657.53 g/mol. Its IUPAC name is (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide.

Molecular Properties

Compound Name(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide
PubChem CID158824522
Molecular FormulaC315H437F3N40O41S5
Molecular Weight5657.53 g/mol
Exact Mass5653.19
IUPAC Name(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide
SMILESCC(C)C[C@@H](NC(=O)C(CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCN(S(C)(=O)=O)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)N1CCC(S(=O)(=O)N(C)C)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)N1CCN(C(=O)c2ccccc2)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)N1CCN(S(=O)(=O)c2ccccc2)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)N1CCN(c2ccccn2)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)N1CCN(c2nccs2)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)N1CCS(=O)(=O)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)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C43H57N5O5.C42H57N5O6S.C41H56N6O4.C39H54N6O4S.C39H59N5O6S.C38H47F3N4O4.C37H55N5O6S.C36H52N4O6S/c1-31(2)26-38(46-41(51)36(27-32-14-6-3-7-15-32)30-39(49)37(45)28-33-16-8-4-9-17-33)40(50)29-35(20-12-13-21-44)43(53)48-24-22-47(23-25-48)42(52)34-18-10-5-11-19-34;1-31(2)26-38(45-41(50)35(27-32-14-6-3-7-15-32)30-39(48)37(44)28-33-16-8-4-9-17-33)40(49)29-34(18-12-13-21-43)42(51)46-22-24-47(25-23-46)54(52,53)36-19-10-5-11-20-36;1-30(2)25-36(38(49)28-33(17-9-11-19-42)41(51)47-23-21-46(22-24-47)39-18-10-12-20-44-39)45-40(50)34(26-31-13-5-3-6-14-31)29-37(48)35(43)27-32-15-7-4-8-16-32;1-28(2)23-34(36(47)26-31(15-9-10-16-40)38(49)44-18-20-45(21-19-44)39-42-17-22-50-39)43-37(48)32(24-29-11-5-3-6-12-29)27-35(46)33(41)25-30-13-7-4-8-14-30;1-28(2)23-35(37(46)26-31(17-11-12-20-40)39(48)44-21-18-33(19-22-44)51(49,50)43(3)4)42-38(47)32(24-29-13-7-5-8-14-29)27-36(45)34(41)25-30-15-9-6-10-16-30;1-25(2)19-32(34(47)22-28(15-9-10-18-42)36(48)29-16-17-35(44-24-29)38(39,40)41)45-37(49)30(20-26-11-5-3-6-12-26)23-33(46)31(43)21-27-13-7-4-8-14-27;1-27(2)22-33(35(44)25-30(16-10-11-17-38)37(46)41-18-20-42(21-19-41)49(3,47)48)40-36(45)31(23-28-12-6-4-7-13-28)26-34(43)32(39)24-29-14-8-5-9-15-29;1-26(2)21-32(34(42)24-29(15-9-10-16-37)36(44)40-17-19-47(45,46)20-18-40)39-35(43)30(22-27-11-5-3-6-12-27)25-33(41)31(38)23-28-13-7-4-8-14-28/h3-11,14-19,31,35-38H,12-13,20-30,44-45H2,1-2H3,(H,46,51);3-11,14-17,19-20,31,34-35,37-38H,12-13,18,21-30,43-44H2,1-2H3,(H,45,50);3-8,10,12-16,18,20,30,33-36H,9,11,17,19,21-29,42-43H2,1-2H3,(H,45,50);3-8,11-14,17,22,28,31-34H,9-10,15-16,18-21,23-27,40-41H2,1-2H3,(H,43,48);5-10,13-16,28,31-35H,11-12,17-27,40-41H2,1-4H3,(H,42,47);3-8,11-14,16-17,24-25,28,30-32H,9-10,15,18-23,42-43H2,1-2H3,(H,45,49);4-9,12-15,27,30-33H,10-11,16-26,38-39H2,1-3H3,(H,40,45);3-8,11-14,26,29-32H,9-10,15-25,37-38H2,1-2H3,(H,39,43)/t35-,36-,37+,38+;34-,35-,37+,38+;33-,34-,35+,36+;31-,32-,33+,34+;31-,32-,34+,35+;28-,30-,31+,32+;30-,31?,32+,33+;29-,30-,31+,32+/m00000000/s1
InChIKeyIWHFYOPHODUHPU-CCHQEYGGSA-N
XLogP32.49
TPSA1293.22 Ų
H-Bond Donors24
H-Bond Acceptors63
Rotatable Bonds161
Heavy Atoms404
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005657.53
LogP ≤ 532.49
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1063

Analyze (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide?
The IUPAC name of (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide (CID 158824522) is (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide.
What is the SMILES notation for (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide?
The canonical SMILES for (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide is CC(C)C[C@@H](NC(=O)C(CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCN(S(C)(=O)=O)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)N1CCC(S(=O)(=O)N(C)C)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)N1CCN(C(=O)c2ccccc2)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)N1CCN(S(=O)(=O)c2ccccc2)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)N1CCN(c2ccccn2)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)N1CCN(c2nccs2)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)N1CCS(=O)(=O)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)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide?
The InChIKey is IWHFYOPHODUHPU-CCHQEYGGSA-N. The full InChI is InChI=1S/C43H57N5O5.C42H57N5O6S.C41H56N6O4.C39H54N6O4S.C39H59N5O6S.C38H47F3N4O4.C37H55N5O6S.C36H52N4O6S/c1-31(2)26-38(46-41(51)36(27-32-14-6-3-7-15-32)30-39(49)37(45)28-33-16-8-4-9-17-33)40(50)29-35(20-12-13-21-44)43(53)48-24-22-47(23-25-48)42(52)34-18-10-5-11-19-34;1-31(2)26-38(45-41(50)35(27-32-14-6-3-7-15-32)30-39(48)37(44)28-33-16-8-4-9-17-33)40(49)29-34(18-12-13-21-43)42(51)46-22-24-47(25-23-46)54(52,53)36-19-10-5-11-20-36;1-30(2)25-36(38(49)28-33(17-9-11-19-42)41(51)47-23-21-46(22-24-47)39-18-10-12-20-44-39)45-40(50)34(26-31-13-5-3-6-14-31)29-37(48)35(43)27-32-15-7-4-8-16-32;1-28(2)23-34(36(47)26-31(15-9-10-16-40)38(49)44-18-20-45(21-19-44)39-42-17-22-50-39)43-37(48)32(24-29-11-5-3-6-12-29)27-35(46)33(41)25-30-13-7-4-8-14-30;1-28(2)23-35(37(46)26-31(17-11-12-20-40)39(48)44-21-18-33(19-22-44)51(49,50)43(3)4)42-38(47)32(24-29-13-7-5-8-14-29)27-36(45)34(41)25-30-15-9-6-10-16-30;1-25(2)19-32(34(47)22-28(15-9-10-18-42)36(48)29-16-17-35(44-24-29)38(39,40)41)45-37(49)30(20-26-11-5-3-6-12-26)23-33(46)31(43)21-27-13-7-4-8-14-27;1-27(2)22-33(35(44)25-30(16-10-11-17-38)37(46)41-18-20-42(21-19-41)49(3,47)48)40-36(45)31(23-28-12-6-4-7-13-28)26-34(43)32(39)24-29-14-8-5-9-15-29;1-26(2)21-32(34(42)24-29(15-9-10-16-37)36(44)40-17-19-47(45,46)20-18-40)39-35(43)30(22-27-11-5-3-6-12-27)25-33(41)31(38)23-28-13-7-4-8-14-28/h3-11,14-19,31,35-38H,12-13,20-30,44-45H2,1-2H3,(H,46,51);3-11,14-17,19-20,31,34-35,37-38H,12-13,18,21-30,43-44H2,1-2H3,(H,45,50);3-8,10,12-16,18,20,30,33-36H,9,11,17,19,21-29,42-43H2,1-2H3,(H,45,50);3-8,11-14,17,22,28,31-34H,9-10,15-16,18-21,23-27,40-41H2,1-2H3,(H,43,48);5-10,13-16,28,31-35H,11-12,17-27,40-41H2,1-4H3,(H,42,47);3-8,11-14,16-17,24-25,28,30-32H,9-10,15,18-23,42-43H2,1-2H3,(H,45,49);4-9,12-15,27,30-33H,10-11,16-26,38-39H2,1-3H3,(H,40,45);3-8,11-14,26,29-32H,9-10,15-25,37-38H2,1-2H3,(H,39,43)/t35-,36-,37+,38+;34-,35-,37+,38+;33-,34-,35+,36+;31-,32-,33+,34+;31-,32-,34+,35+;28-,30-,31+,32+;30-,31?,32+,33+;29-,30-,31+,32+/m00000000/s1.
What are the key properties of (2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide?
(2S,5R)-5-amino-N-[(4R,7S)-11-amino-7-[4-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide has a molecular weight of 5657.53 g/mol, XLogP of 32.49, 161 rotatable bonds, 24 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-(benzenesulfonyl)piperazine-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-benzoylpiperazine-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-(dimethylsulfamoyl)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-(1,1-dioxo-1,4-thiazinane-4-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-methylsulfonylpiperazine-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-pyridin-2-ylpiperazine-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-(1,3-thiazol-2-yl)piperazine-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-[6-(trifluoromethyl)pyridine-3-carbonyl]undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide is sourced from PubChem (CID 158824522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).