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

C348H517N31O36 — CID 157143835

IUPACN-[(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
SMILESCC(C)CCC(=O)N(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[C@@H](CC(=O)CN(C[C@H](CCCCN)CC(=O)CN(C[C@H](CCCCN)CC(=O)CN(C[C@H](CCCCN)CC(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)Cc1ccccc1.CC(C)CCC(=O)N(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[C@@H](CC(=O)CN(C[C@H](Cc1ccccc1)CC(C)(C)C)C(=O)CCC(C)C)Cc1ccccc1.CC(C)CCC(=O)N(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](Cc1ccccc1)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCC(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C[C@@H](CC(=O)CN(C[C@H](CCCCN)CC(C)(C)C)C(=O)CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C116H173N11O12.2C116H172N10O12/c1-90(2)54-60-109(134)126(87-106(131)74-99(51-29-34-68-119)79-123(111(136)62-56-92-39-17-10-18-40-92)85-104(129)75-100(52-30-35-69-120)81-127(89-108(133)116(6,7)8)114(139)65-59-95-45-23-13-24-46-95)83-102(71-96-47-25-14-26-48-96)76-107(132)88-124(112(137)63-57-93-41-19-11-20-42-93)80-97(49-27-32-66-117)72-103(128)84-122(110(135)61-55-91-37-15-9-16-38-91)78-98(50-28-33-67-118)73-105(130)86-125(113(138)64-58-94-43-21-12-22-44-94)82-101(53-31-36-70-121)77-115(3,4)5;1-89(2)53-59-109(133)124(82-102(70-96-47-27-16-28-48-96)75-107(131)87-123(113(137)63-57-93-41-21-13-22-42-93)80-100(52-32-36-68-120)76-115(5,6)7)84-104(128)72-98(50-30-34-66-118)77-121(111(135)61-55-91-37-17-11-18-38-91)83-103(127)71-97(49-29-33-65-117)78-122(112(136)62-56-92-39-19-12-20-40-92)86-106(130)74-101(69-95-45-25-15-26-46-95)81-125(110(134)60-54-90(3)4)85-105(129)73-99(51-31-35-67-119)79-126(88-108(132)116(8,9)10)114(138)64-58-94-43-23-14-24-44-94;1-89(2)53-59-109(133)124(81-101(69-95-45-25-15-26-46-95)75-107(131)87-125(110(134)60-54-90(3)4)82-102(76-115(5,6)7)70-96-47-27-16-28-48-96)86-106(130)73-99(51-31-35-67-119)79-122(112(136)62-56-92-39-19-12-20-40-92)84-104(128)71-97(49-29-33-65-117)77-121(111(135)61-55-91-37-17-11-18-38-91)83-103(127)72-98(50-30-34-66-118)78-123(113(137)63-57-93-41-21-13-22-42-93)85-105(129)74-100(52-32-36-68-120)80-126(88-108(132)116(8,9)10)114(138)64-58-94-43-23-14-24-44-94/h9-26,37-48,90,97-102H,27-36,49-89,117-121H2,1-8H3;2*11-28,37-48,89-90,97-102H,29-36,49-88,117-120H2,1-10H3/t3*97-,98-,99-,100-,101-,102-/m111/s1
InChIKeyAKMICKRVJPYFSW-YMNIESOYSA-N
MW5711.15 g/mol
LogP52.81
Rot. Bonds221

About 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

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 (PubChem CID 157143835) has the molecular formula C348H517N31O36 and a molecular weight of 5711.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID157143835
Molecular FormulaC348H517N31O36
Molecular Weight5711.15 g/mol
Exact Mass5706.96
IUPAC NameN-[(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
SMILESCC(C)CCC(=O)N(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[C@@H](CC(=O)CN(C[C@H](CCCCN)CC(=O)CN(C[C@H](CCCCN)CC(=O)CN(C[C@H](CCCCN)CC(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)Cc1ccccc1.CC(C)CCC(=O)N(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[C@@H](CC(=O)CN(C[C@H](Cc1ccccc1)CC(C)(C)C)C(=O)CCC(C)C)Cc1ccccc1.CC(C)CCC(=O)N(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](Cc1ccccc1)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCC(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C[C@@H](CC(=O)CN(C[C@H](CCCCN)CC(C)(C)C)C(=O)CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C116H173N11O12.2C116H172N10O12/c1-90(2)54-60-109(134)126(87-106(131)74-99(51-29-34-68-119)79-123(111(136)62-56-92-39-17-10-18-40-92)85-104(129)75-100(52-30-35-69-120)81-127(89-108(133)116(6,7)8)114(139)65-59-95-45-23-13-24-46-95)83-102(71-96-47-25-14-26-48-96)76-107(132)88-124(112(137)63-57-93-41-19-11-20-42-93)80-97(49-27-32-66-117)72-103(128)84-122(110(135)61-55-91-37-15-9-16-38-91)78-98(50-28-33-67-118)73-105(130)86-125(113(138)64-58-94-43-21-12-22-44-94)82-101(53-31-36-70-121)77-115(3,4)5;1-89(2)53-59-109(133)124(82-102(70-96-47-27-16-28-48-96)75-107(131)87-123(113(137)63-57-93-41-21-13-22-42-93)80-100(52-32-36-68-120)76-115(5,6)7)84-104(128)72-98(50-30-34-66-118)77-121(111(135)61-55-91-37-17-11-18-38-91)83-103(127)71-97(49-29-33-65-117)78-122(112(136)62-56-92-39-19-12-20-40-92)86-106(130)74-101(69-95-45-25-15-26-46-95)81-125(110(134)60-54-90(3)4)85-105(129)73-99(51-31-35-67-119)79-126(88-108(132)116(8,9)10)114(138)64-58-94-43-23-14-24-44-94;1-89(2)53-59-109(133)124(81-101(69-95-45-25-15-26-46-95)75-107(131)87-125(110(134)60-54-90(3)4)82-102(76-115(5,6)7)70-96-47-27-16-28-48-96)86-106(130)73-99(51-31-35-67-119)79-122(112(136)62-56-92-39-19-12-20-40-92)84-104(128)71-97(49-29-33-65-117)77-121(111(135)61-55-91-37-17-11-18-38-91)83-103(127)72-98(50-30-34-66-118)78-123(113(137)63-57-93-41-21-13-22-42-93)85-105(129)74-100(52-32-36-68-120)80-126(88-108(132)116(8,9)10)114(138)64-58-94-43-23-14-24-44-94/h9-26,37-48,90,97-102H,27-36,49-89,117-121H2,1-8H3;2*11-28,37-48,89-90,97-102H,29-36,49-88,117-120H2,1-10H3/t3*97-,98-,99-,100-,101-,102-/m111/s1
InChIKeyAKMICKRVJPYFSW-YMNIESOYSA-N
XLogP52.81
TPSA1011.10 Ų
H-Bond Donors13
H-Bond Acceptors49
Rotatable Bonds221
Heavy Atoms415
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005711.15
LogP ≤ 552.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1049

Analyze 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 with MolForge

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Related Compounds

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
N-[(2R)-2-[3-[acetyl-[(2R)-2-methyl-4-oxononadecyl]amino]-2-oxopropyl]-6-aminohexyl]-4-amino-N-[(4R)-4-benzyl-5-[[(4R)-4-benzyl-5-[3-(1H-imidazol-5-yl)propanoyl-(2-oxopropyl)amino]-2-oxopentyl]-[3-(1H-imidazol-5-yl)propanoyl]amino]-2-oxopentyl]butanamide
CID 158611673
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
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide
CID 61014679
N-[(2R)-5-[[(2R)-5-[[(2R)-5-[acetyl-[(2R)-5-[acetyl-[(2S)-2-aminopropyl]amino]-2-methyl-4-oxopentyl]amino]-2-(2-methylpropyl)-4-oxopentyl]-(4-aminobutanoyl)amino]-2-(2-methylpropyl)-4-oxopentyl]-(4-aminobutanoyl)amino]-2-(2-methylpropyl)-4-oxopentyl]-4-amino-N-(2-oxopropyl)butanamide;3-[[(2R)-5-[[(2R)-5-[[(2R)-5-[acetyl-[(2R)-5-[acetyl-[(2R)-2-methyl-4-oxononadecyl]amino]-2-methyl-4-oxopentyl]amino]-2-benzyl-4-oxopentyl]-(2-carboxyacetyl)amino]-2-benzyl-4-oxopentyl]-(2-carboxyacetyl)amino]-2-benzyl-4-oxopentyl]-(2-oxopropyl)amino]-3-oxopropanoic acid;(Z,2R)-N-[(2S)-6-amino-1-[4-aminobutanoyl(2-oxopropyl)amino]hexan-2-yl]-2-(4-aminobutyl)-4-oxohenicos-12-enamide;4-amino-N-[(Z,2R)-2-(4-aminobutyl)-4-oxohenicos-12-enyl]-N-(2-oxopropyl)butanamide
CID 160997411
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
(2S)-2,6-diamino-N-[(2S)-1-oxopropan-2-yl]-N-(4-phenylbutanoyl)hexanamide
CID 54279048
prop-2-enyl N-[2-[[(2S)-1-[[2-[[(2S)-6-amino-1-[3-methylbutanoyl-[2-[[(2S)-4-methyl-1-[3-methylbutanoyl(2-oxopropyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]hexan-2-yl]amino]-2-oxoethyl]-(3-phenylpropanoyl)amino]-3-phenylpropan-2-yl]amino]-2-oxoethyl]-N-[(2S)-2,6-diaminohexyl]carbamate
CID 122415385
4-phenylbutan-1-amine;4-phenylbutan-2-one
CID 143577690
N-[2-[[(2S)-1-[acetyl-[2-[[(2S)-6-amino-1-[(2-amino-2-oxoethyl)-(3-phenylpropanoyl)amino]hexan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]amino]-2-oxoethyl]-N-[(2S)-2-aminopropyl]-3-cyclohexylpropanamide
CID 102290460
N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42702375

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CCC(=O)N(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[C@@H](CC(=O)CN(C[C@H](CCCCN)CC(=O)CN(C[C@H](CCCCN)CC(=O)CN(C[C@H](CCCCN)CC(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)Cc1ccccc1.CC(C)CCC(=O)N(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[C@@H](CC(=O)CN(C[C@H](Cc1ccccc1)CC(C)(C)C)C(=O)CCC(C)C)Cc1ccccc1.CC(C)CCC(=O)N(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C[C@@H](Cc1ccccc1)CN(CC(=O)C[C@@H](CCCCN)CN(CC(=O)C(C)(C)C)C(=O)CCc1ccccc1)C(=O)CCC(C)C)C(=O)CCc1ccccc1)C(=O)CCc1ccccc1)C[C@@H](CC(=O)CN(C[C@H](CCCCN)CC(C)(C)C)C(=O)CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 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?
The InChIKey is AKMICKRVJPYFSW-YMNIESOYSA-N. The full InChI is InChI=1S/C116H173N11O12.2C116H172N10O12/c1-90(2)54-60-109(134)126(87-106(131)74-99(51-29-34-68-119)79-123(111(136)62-56-92-39-17-10-18-40-92)85-104(129)75-100(52-30-35-69-120)81-127(89-108(133)116(6,7)8)114(139)65-59-95-45-23-13-24-46-95)83-102(71-96-47-25-14-26-48-96)76-107(132)88-124(112(137)63-57-93-41-19-11-20-42-93)80-97(49-27-32-66-117)72-103(128)84-122(110(135)61-55-91-37-15-9-16-38-91)78-98(50-28-33-67-118)73-105(130)86-125(113(138)64-58-94-43-21-12-22-44-94)82-101(53-31-36-70-121)77-115(3,4)5;1-89(2)53-59-109(133)124(82-102(70-96-47-27-16-28-48-96)75-107(131)87-123(113(137)63-57-93-41-21-13-22-42-93)80-100(52-32-36-68-120)76-115(5,6)7)84-104(128)72-98(50-30-34-66-118)77-121(111(135)61-55-91-37-17-11-18-38-91)83-103(127)71-97(49-29-33-65-117)78-122(112(136)62-56-92-39-19-12-20-40-92)86-106(130)74-101(69-95-45-25-15-26-46-95)81-125(110(134)60-54-90(3)4)85-105(129)73-99(51-31-35-67-119)79-126(88-108(132)116(8,9)10)114(138)64-58-94-43-23-14-24-44-94;1-89(2)53-59-109(133)124(81-101(69-95-45-25-15-26-46-95)75-107(131)87-125(110(134)60-54-90(3)4)82-102(76-115(5,6)7)70-96-47-27-16-28-48-96)86-106(130)73-99(51-31-35-67-119)79-122(112(136)62-56-92-39-19-12-20-40-92)84-104(128)71-97(49-29-33-65-117)77-121(111(135)61-55-91-37-17-11-18-38-91)83-103(127)72-98(50-30-34-66-118)78-123(113(137)63-57-93-41-21-13-22-42-93)85-105(129)74-100(52-32-36-68-120)80-126(88-108(132)116(8,9)10)114(138)64-58-94-43-23-14-24-44-94/h9-26,37-48,90,97-102H,27-36,49-89,117-121H2,1-8H3;2*11-28,37-48,89-90,97-102H,29-36,49-88,117-120H2,1-10H3/t3*97-,98-,99-,100-,101-,102-/m111/s1.
What are the key properties of 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?
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 has a molecular weight of 5711.15 g/mol, XLogP of 52.81, 221 rotatable bonds, 13 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157143835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).