N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide

C294H444N30O30 — CID 160844399

IUPACN-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide
SMILESCC(C)(C)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1.CC(C)(C)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1.CC(C)(C)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C116H174N12O12.C98H148N10O10.C80H122N8O8/c1-115(2,3)78-102(54-30-36-72-122)84-127(113(139)65-59-95-45-21-11-22-46-95)89-107(133)76-100(52-28-34-70-120)82-125(111(137)63-57-93-41-17-9-18-42-93)87-105(131)74-98(50-26-32-68-118)80-123(109(135)61-55-91-37-13-7-14-38-91)85-103(129)73-97(49-25-31-67-117)79-124(110(136)62-56-92-39-15-8-16-40-92)86-104(130)75-99(51-27-33-69-119)81-126(112(138)64-58-94-43-19-10-20-44-94)88-106(132)77-101(53-29-35-71-121)83-128(90-108(134)116(4,5)6)114(140)66-60-96-47-23-12-24-48-96;1-97(2,3)66-86(46-26-31-61-103)71-107(95(117)55-50-80-38-18-10-19-39-80)75-90(112)64-84(44-24-29-59-101)69-105(93(115)53-48-78-34-14-8-15-35-78)73-88(110)62-82(42-22-27-57-99)67-104(92(114)52-47-77-32-12-7-13-33-77)72-87(109)63-83(43-23-28-58-100)68-106(94(116)54-49-79-36-16-9-17-37-79)74-89(111)65-85(45-25-30-60-102)70-108(76-91(113)98(4,5)6)96(118)56-51-81-40-20-11-21-41-81;1-79(2,3)54-70(38-22-26-50-84)58-87(77(95)45-41-65-31-15-9-16-32-65)61-73(91)52-68(36-20-24-48-82)56-85(75(93)43-39-63-27-11-7-12-28-63)59-71(89)51-67(35-19-23-47-81)55-86(76(94)44-40-64-29-13-8-14-30-64)60-72(90)53-69(37-21-25-49-83)57-88(62-74(92)80(4,5)6)78(96)46-42-66-33-17-10-18-34-66/h7-24,37-48,97-102H,25-36,49-90,117-122H2,1-6H3;7-21,32-41,82-86H,22-31,42-76,99-103H2,1-6H3;7-18,27-34,67-70H,19-26,35-62,81-84H2,1-6H3/t97-,98-,99-,100-,101-,102-;82-,83-,84-,85-,86-;67-,68-,69-,70-/m111/s1
InChIKeySILKNNJXEACJPH-JVGGTFGTSA-N
MW4878.97 g/mol
LogP41.72
Rot. Bonds192

About N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide

N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide (PubChem CID 160844399) has the molecular formula C294H444N30O30 and a molecular weight of 4878.97 g/mol. Its IUPAC name is N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide
PubChem CID160844399
Molecular FormulaC294H444N30O30
Molecular Weight4878.97 g/mol
Exact Mass4875.41
IUPAC NameN-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide
SMILESCC(C)(C)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1.CC(C)(C)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1.CC(C)(C)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C116H174N12O12.C98H148N10O10.C80H122N8O8/c1-115(2,3)78-102(54-30-36-72-122)84-127(113(139)65-59-95-45-21-11-22-46-95)89-107(133)76-100(52-28-34-70-120)82-125(111(137)63-57-93-41-17-9-18-42-93)87-105(131)74-98(50-26-32-68-118)80-123(109(135)61-55-91-37-13-7-14-38-91)85-103(129)73-97(49-25-31-67-117)79-124(110(136)62-56-92-39-15-8-16-40-92)86-104(130)75-99(51-27-33-69-119)81-126(112(138)64-58-94-43-19-10-20-44-94)88-106(132)77-101(53-29-35-71-121)83-128(90-108(134)116(4,5)6)114(140)66-60-96-47-23-12-24-48-96;1-97(2,3)66-86(46-26-31-61-103)71-107(95(117)55-50-80-38-18-10-19-39-80)75-90(112)64-84(44-24-29-59-101)69-105(93(115)53-48-78-34-14-8-15-35-78)73-88(110)62-82(42-22-27-57-99)67-104(92(114)52-47-77-32-12-7-13-33-77)72-87(109)63-83(43-23-28-58-100)68-106(94(116)54-49-79-36-16-9-17-37-79)74-89(111)65-85(45-25-30-60-102)70-108(76-91(113)98(4,5)6)96(118)56-51-81-40-20-11-21-41-81;1-79(2,3)54-70(38-22-26-50-84)58-87(77(95)45-41-65-31-15-9-16-32-65)61-73(91)52-68(36-20-24-48-82)56-85(75(93)43-39-63-27-11-7-12-28-63)59-71(89)51-67(35-19-23-47-81)55-86(76(94)44-40-64-29-13-8-14-30-64)60-72(90)53-69(37-21-25-49-83)57-88(62-74(92)80(4,5)6)78(96)46-42-66-33-17-10-18-34-66/h7-24,37-48,97-102H,25-36,49-90,117-122H2,1-6H3;7-21,32-41,82-86H,22-31,42-76,99-103H2,1-6H3;7-18,27-34,67-70H,19-26,35-62,81-84H2,1-6H3/t97-,98-,99-,100-,101-,102-;82-,83-,84-,85-,86-;67-,68-,69-,70-/m111/s1
InChIKeySILKNNJXEACJPH-JVGGTFGTSA-N
XLogP41.72
TPSA951.00 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds192
Heavy Atoms354
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004878.97
LogP ≤ 541.72
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Analyze N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-N-[(2R)-2-benzyl-5-[[(2S)-2-benzyl-4,4-dimethylpentyl]-(4-methylpentanoyl)amino]-4-oxopentyl]-4-methylpentanamide;N-[(2R)-5-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-5-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-benzyl-4-oxopentyl]-(4-methylpentanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-benzyl-4-oxopentyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-4-methylpentanamide;N-[(2R)-5-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-benzyl-4-oxopentyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-4-methylpentanamide
CID 157143835
N-[(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-(methylamino)hexyl]-(3-phenylpropanoyl)amino]acetyl]amino]hexyl]-(3-phenylpropanoyl)amino]acetyl]amino]hexyl]-(3-phenylpropanoyl)amino]acetyl]amino]hexyl]-(3-phenylpropanoyl)amino]acetyl]amino]hexyl]-N-(2-oxopropyl)-3-phenylpropanamide
CID 118409522
N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
CID 91693865
4-phenylbutan-1-amine;4-phenylbutan-2-one
CID 143577690
8-amino-1-phenyloctan-4-one
CID 116571907
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233
(2S)-2,6-diamino-N-[(2S)-1-oxopropan-2-yl]-N-(4-phenylbutanoyl)hexanamide
CID 54279048
2,6-diaminohexanoic acid;3-phenylpropanamide
CID 174839218
N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493544
N-[2-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[2-oxopropyl(3-phenylpropanoyl)amino]hexan-2-yl]amino]-2-oxoethyl]-(3-phenylpropanoyl)amino]hexan-2-yl]amino]-2-oxoethyl]-(3-phenylpropanoyl)amino]hexan-2-yl]amino]-2-oxoethyl]-(3-phenylpropanoyl)amino]hexan-2-yl]amino]-2-oxoethyl]-(4-methylpentanoyl)amino]-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-methyl-N-[(2S)-2-(methylamino)-3-phenylpropyl]pentanamide
CID 118409304
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide?
The IUPAC name of N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide (CID 160844399) is N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide?
The canonical SMILES for N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide is CC(C)(C)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1.CC(C)(C)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1.CC(C)(C)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide?
The InChIKey is SILKNNJXEACJPH-JVGGTFGTSA-N. The full InChI is InChI=1S/C116H174N12O12.C98H148N10O10.C80H122N8O8/c1-115(2,3)78-102(54-30-36-72-122)84-127(113(139)65-59-95-45-21-11-22-46-95)89-107(133)76-100(52-28-34-70-120)82-125(111(137)63-57-93-41-17-9-18-42-93)87-105(131)74-98(50-26-32-68-118)80-123(109(135)61-55-91-37-13-7-14-38-91)85-103(129)73-97(49-25-31-67-117)79-124(110(136)62-56-92-39-15-8-16-40-92)86-104(130)75-99(51-27-33-69-119)81-126(112(138)64-58-94-43-19-10-20-44-94)88-106(132)77-101(53-29-35-71-121)83-128(90-108(134)116(4,5)6)114(140)66-60-96-47-23-12-24-48-96;1-97(2,3)66-86(46-26-31-61-103)71-107(95(117)55-50-80-38-18-10-19-39-80)75-90(112)64-84(44-24-29-59-101)69-105(93(115)53-48-78-34-14-8-15-35-78)73-88(110)62-82(42-22-27-57-99)67-104(92(114)52-47-77-32-12-7-13-33-77)72-87(109)63-83(43-23-28-58-100)68-106(94(116)54-49-79-36-16-9-17-37-79)74-89(111)65-85(45-25-30-60-102)70-108(76-91(113)98(4,5)6)96(118)56-51-81-40-20-11-21-41-81;1-79(2,3)54-70(38-22-26-50-84)58-87(77(95)45-41-65-31-15-9-16-32-65)61-73(91)52-68(36-20-24-48-82)56-85(75(93)43-39-63-27-11-7-12-28-63)59-71(89)51-67(35-19-23-47-81)55-86(76(94)44-40-64-29-13-8-14-30-64)60-72(90)53-69(37-21-25-49-83)57-88(62-74(92)80(4,5)6)78(96)46-42-66-33-17-10-18-34-66/h7-24,37-48,97-102H,25-36,49-90,117-122H2,1-6H3;7-21,32-41,82-86H,22-31,42-76,99-103H2,1-6H3;7-18,27-34,67-70H,19-26,35-62,81-84H2,1-6H3/t97-,98-,99-,100-,101-,102-;82-,83-,84-,85-,86-;67-,68-,69-,70-/m111/s1.
What are the key properties of N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide?
N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide has a molecular weight of 4878.97 g/mol, XLogP of 41.72, 192 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide;N-[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-[3-[[(2R)-6-amino-2-(2,2-dimethylpropyl)hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-(3-phenylpropanoyl)amino]-2-oxopropyl]hexyl]-N-[(4R)-8-amino-4-[[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]methyl]-2-oxooctyl]-3-phenylpropanamide is sourced from PubChem (CID 160844399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).