2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C105H139N21O12 — CID 171760749

IUPAC2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESC[C@@H](c1ccccc1)N(CC(N)=O)C(=O)CN(CCCCN)C(=O)CN(CCCCN)C(=O)CN(C(=O)CN(C(=O)CN(CCc1c[nH]cn1)C(=O)CN(C(=O)CN(C(=O)CN(CCCCN)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CNCCCCN)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C105H139N21O12/c1-77(82-33-11-6-12-34-82)122(65-94(110)127)101(134)69-117(56-31-27-52-108)96(129)66-116(55-30-26-51-107)99(132)72-123(78(2)83-35-13-7-14-36-83)104(137)75-126(81(5)86-41-19-10-20-42-86)103(136)71-121(60-49-89-63-112-76-115-89)100(133)73-124(79(3)84-37-15-8-16-38-84)105(138)74-125(80(4)85-39-17-9-18-40-85)102(135)70-118(57-32-28-53-109)97(130)68-120(59-48-88-62-114-93-46-24-22-44-91(88)93)98(131)67-119(95(128)64-111-54-29-25-50-106)58-47-87-61-113-92-45-23-21-43-90(87)92/h6-24,33-46,61-63,76-81,111,113-114H,25-32,47-60,64-75,106-109H2,1-5H3,(H2,110,127)(H,112,115)/t77-,78-,79-,80-,81-/m0/s1
InChIKeyXMVCUAQZWMNDPI-XRWGWCMESA-N
MW1887.40 g/mol
LogP8.35
Rot. Bonds59

About 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 171760749) has the molecular formula C105H139N21O12 and a molecular weight of 1887.40 g/mol. Its IUPAC name is 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID171760749
Molecular FormulaC105H139N21O12
Molecular Weight1887.40 g/mol
Exact Mass1886.09
IUPAC Name2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESC[C@@H](c1ccccc1)N(CC(N)=O)C(=O)CN(CCCCN)C(=O)CN(CCCCN)C(=O)CN(C(=O)CN(C(=O)CN(CCc1c[nH]cn1)C(=O)CN(C(=O)CN(C(=O)CN(CCCCN)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CNCCCCN)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C105H139N21O12/c1-77(82-33-11-6-12-34-82)122(65-94(110)127)101(134)69-117(56-31-27-52-108)96(129)66-116(55-30-26-51-107)99(132)72-123(78(2)83-35-13-7-14-36-83)104(137)75-126(81(5)86-41-19-10-20-42-86)103(136)71-121(60-49-89-63-112-76-115-89)100(133)73-124(79(3)84-37-15-8-16-38-84)105(138)74-125(80(4)85-39-17-9-18-40-85)102(135)70-118(57-32-28-53-109)97(130)68-120(59-48-88-62-114-93-46-24-22-44-91(88)93)98(131)67-119(95(128)64-111-54-29-25-50-106)58-47-87-61-113-92-45-23-21-43-90(87)92/h6-24,33-46,61-63,76-81,111,113-114H,25-32,47-60,64-75,106-109H2,1-5H3,(H2,110,127)(H,112,115)/t77-,78-,79-,80-,81-/m0/s1
InChIKeyXMVCUAQZWMNDPI-XRWGWCMESA-N
XLogP8.35
TPSA442.87 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds59
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001887.40
LogP ≤ 58.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[4-aminobutyl-[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]acetamide
CID 171760767
2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[4-aminobutyl-[2-[[2-[[2-[4-aminobutyl-[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]acetamide
CID 139506129
2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 127052208
2-(2-aminoethylamino)-N-[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(2-sulfanylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(2-sulfanylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(2-sulfanylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-(2-sulfanylethyl)acetamide
CID 130252041
2-(6-aminohexylamino)-N-[2-[[2-[6-aminohexyl-[2-[[2-[[2-[6-aminohexyl-[2-[[2-[[2-[6-aminohexyl-[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-benzylacetamide
CID 127050608
2-(3-aminopropylamino)-N-[2-(1H-indol-3-yl)ethyl]-N-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]acetamide
CID 130425938
3-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-(4-nitrophenyl)ethyl]amino]-2-oxoethyl]-(2-sulfamoylethyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[[(1S)-1-(4-nitrophenyl)ethyl]-[2-[[2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(3-phosphonopropyl)amino]acetyl]amino]acetyl]-[(1S)-1-(4-nitrophenyl)ethyl]amino]acetyl]amino]propylphosphonic acid
CID 136859114
2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 162106646
5-[[2-[2-(1H-indol-3-yl)ethylamino]acetyl]-[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-[[2-oxo-2-(2-sulfanylethylamino)ethyl]-(pyridin-3-ylmethyl)amino]ethyl]amino]-2-oxoethyl]amino]pentanamide
CID 159298477
N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 43397899
N-[2-[(2-amino-2-oxoethyl)-[2-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide
CID 11251233
N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide
CID 130252805

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 171760749) is 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is C[C@@H](c1ccccc1)N(CC(N)=O)C(=O)CN(CCCCN)C(=O)CN(CCCCN)C(=O)CN(C(=O)CN(C(=O)CN(CCc1c[nH]cn1)C(=O)CN(C(=O)CN(C(=O)CN(CCCCN)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CNCCCCN)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1.
What is the InChIKey of 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is XMVCUAQZWMNDPI-XRWGWCMESA-N. The full InChI is InChI=1S/C105H139N21O12/c1-77(82-33-11-6-12-34-82)122(65-94(110)127)101(134)69-117(56-31-27-52-108)96(129)66-116(55-30-26-51-107)99(132)72-123(78(2)83-35-13-7-14-36-83)104(137)75-126(81(5)86-41-19-10-20-42-86)103(136)71-121(60-49-89-63-112-76-115-89)100(133)73-124(79(3)84-37-15-8-16-38-84)105(138)74-125(80(4)85-39-17-9-18-40-85)102(135)70-118(57-32-28-53-109)97(130)68-120(59-48-88-62-114-93-46-24-22-44-91(88)93)98(131)67-119(95(128)64-111-54-29-25-50-106)58-47-87-61-113-92-45-23-21-43-90(87)92/h6-24,33-46,61-63,76-81,111,113-114H,25-32,47-60,64-75,106-109H2,1-5H3,(H2,110,127)(H,112,115)/t77-,78-,79-,80-,81-/m0/s1.
What are the key properties of 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 1887.40 g/mol, XLogP of 8.35, 59 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[[2-[[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-(1H-imidazol-4-yl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 171760749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).