(4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide

C140H240N46O20S2 — CID 134148338

IUPAC(4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide
SMILESCC(C)[C@@H](CCC(N)=O)NC(=O)NC[C@H](CCCCN)NC(=O)NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC[C@H](CCCCN)NC(=O)NC[C@@H](NC(=O)NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC[C@H](CCCCN)NC(=O)NC[C@@H](NC(=O)NCCSCC(=O)NCCNC(=O)CSCCNC(=O)N[C@H](CNC(=O)N[C@@H](CCCCN)CNC(=O)N[C@H](CNC(=O)N[C@H](CNC(=O)N[C@@H](CCCCN)CNC(=O)N[C@H](CNC(=O)N[C@@H](CCCCN)CNC(=O)N[C@H](CCC(N)=O)C(C)C)Cc1c[nH]c2ccccc12)C(C)C)Cc1c[nH]c2ccccc12)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C140H240N46O20S2/c1-87(2)111(47-49-121(147)187)181-137(203)161-75-101(37-25-31-55-145)171-127(193)163-77-103(63-93-67-153-113-43-17-13-39-107(93)113)177-129(195)157-71-99(35-23-29-53-143)175-135(201)169-83-119(91(9)10)185-139(205)165-79-105(65-95-69-155-115-45-19-15-41-109(95)115)179-131(197)159-73-97(33-21-27-51-141)173-133(199)167-81-117(89(5)6)183-125(191)151-59-61-207-85-123(189)149-57-58-150-124(190)86-208-62-60-152-126(192)184-118(90(7)8)82-168-134(200)174-98(34-22-28-52-142)74-160-132(198)180-106(66-96-70-156-116-46-20-16-42-110(96)116)80-166-140(206)186-120(92(11)12)84-170-136(202)176-100(36-24-30-54-144)72-158-130(196)178-104(64-94-68-154-114-44-18-14-40-108(94)114)78-164-128(194)172-102(38-26-32-56-146)76-162-138(204)182-112(88(3)4)48-50-122(148)188/h13-20,39-46,67-70,87-92,97-106,111-112,117-120,153-156H,21-38,47-66,71-86,141-146H2,1-12H3,(H2,147,187)(H2,148,188)(H,149,189)(H,150,190)(H2,151,183,191)(H2,152,184,192)(H2,157,177,195)(H2,158,178,196)(H2,159,179,197)(H2,160,180,198)(H2,161,181,203)(H2,162,182,204)(H2,163,171,193)(H2,164,172,194)(H2,165,185,205)(H2,166,186,206)(H2,167,173,199)(H2,168,174,200)(H2,169,175,201)(H2,170,176,202)/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111+,112+,117+,118+,119+,120+/m0/s1
InChIKeyQTDXTEVJDOCBTH-ANIVQQPCSA-N
MW2951.90 g/mol
LogP5.51
Rot. Bonds101

About (4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide

(4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide (PubChem CID 134148338) has the molecular formula C140H240N46O20S2 and a molecular weight of 2951.90 g/mol. Its IUPAC name is (4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide.

Molecular Properties

Compound Name(4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide
PubChem CID134148338
Molecular FormulaC140H240N46O20S2
Molecular Weight2951.90 g/mol
Exact Mass2949.86
IUPAC Name(4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide
SMILESCC(C)[C@@H](CCC(N)=O)NC(=O)NC[C@H](CCCCN)NC(=O)NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC[C@H](CCCCN)NC(=O)NC[C@@H](NC(=O)NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC[C@H](CCCCN)NC(=O)NC[C@@H](NC(=O)NCCSCC(=O)NCCNC(=O)CSCCNC(=O)N[C@H](CNC(=O)N[C@@H](CCCCN)CNC(=O)N[C@H](CNC(=O)N[C@H](CNC(=O)N[C@@H](CCCCN)CNC(=O)N[C@H](CNC(=O)N[C@@H](CCCCN)CNC(=O)N[C@H](CCC(N)=O)C(C)C)Cc1c[nH]c2ccccc12)C(C)C)Cc1c[nH]c2ccccc12)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C140H240N46O20S2/c1-87(2)111(47-49-121(147)187)181-137(203)161-75-101(37-25-31-55-145)171-127(193)163-77-103(63-93-67-153-113-43-17-13-39-107(93)113)177-129(195)157-71-99(35-23-29-53-143)175-135(201)169-83-119(91(9)10)185-139(205)165-79-105(65-95-69-155-115-45-19-15-41-109(95)115)179-131(197)159-73-97(33-21-27-51-141)173-133(199)167-81-117(89(5)6)183-125(191)151-59-61-207-85-123(189)149-57-58-150-124(190)86-208-62-60-152-126(192)184-118(90(7)8)82-168-134(200)174-98(34-22-28-52-142)74-160-132(198)180-106(66-96-70-156-116-46-20-16-42-110(96)116)80-166-140(206)186-120(92(11)12)84-170-136(202)176-100(36-24-30-54-144)72-158-130(196)178-104(64-94-68-154-114-44-18-14-40-108(94)114)78-164-128(194)172-102(38-26-32-56-146)76-162-138(204)182-112(88(3)4)48-50-122(148)188/h13-20,39-46,67-70,87-92,97-106,111-112,117-120,153-156H,21-38,47-66,71-86,141-146H2,1-12H3,(H2,147,187)(H2,148,188)(H,149,189)(H,150,190)(H2,151,183,191)(H2,152,184,192)(H2,157,177,195)(H2,158,178,196)(H2,159,179,197)(H2,160,180,198)(H2,161,181,203)(H2,162,182,204)(H2,163,171,193)(H2,164,172,194)(H2,165,185,205)(H2,166,186,206)(H2,167,173,199)(H2,168,174,200)(H2,169,175,201)(H2,170,176,202)/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111+,112+,117+,118+,119+,120+/m0/s1
InChIKeyQTDXTEVJDOCBTH-ANIVQQPCSA-N
XLogP5.51
TPSA1021.74 Ų
H-Bond Donors46
H-Bond Acceptors28
Rotatable Bonds101
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002951.90
LogP ≤ 55.51
H-Bond Donors ≤ 546
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze (4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide 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

Gramicidin D
CID 45267103
Gramicidin A
CID 16132269
Cyclolinopeptide F
CID 6398538
Penetratin
CID 25242319
Cyclolinopeptide I
CID 636981
Ruxotemitide
CID 46200994
Omiganan
CID 16131445
Gramicidina
CID 16130140
AwFwLL-NH2
CID 44576252
wFwLL-NH2
CID 10190715
Spantide I
CID 25079075
[D-Arg1,D-Phe5,D-Trp7,9,Leu11]-substance P
CID 25091011

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide?
The IUPAC name of (4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide (CID 134148338) is (4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide.
What is the SMILES notation for (4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide?
The canonical SMILES for (4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide is CC(C)[C@@H](CCC(N)=O)NC(=O)NC[C@H](CCCCN)NC(=O)NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC[C@H](CCCCN)NC(=O)NC[C@@H](NC(=O)NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC[C@H](CCCCN)NC(=O)NC[C@@H](NC(=O)NCCSCC(=O)NCCNC(=O)CSCCNC(=O)N[C@H](CNC(=O)N[C@@H](CCCCN)CNC(=O)N[C@H](CNC(=O)N[C@H](CNC(=O)N[C@@H](CCCCN)CNC(=O)N[C@H](CNC(=O)N[C@@H](CCCCN)CNC(=O)N[C@H](CCC(N)=O)C(C)C)Cc1c[nH]c2ccccc12)C(C)C)Cc1c[nH]c2ccccc12)C(C)C)C(C)C)C(C)C.
What is the InChIKey of (4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide?
The InChIKey is QTDXTEVJDOCBTH-ANIVQQPCSA-N. The full InChI is InChI=1S/C140H240N46O20S2/c1-87(2)111(47-49-121(147)187)181-137(203)161-75-101(37-25-31-55-145)171-127(193)163-77-103(63-93-67-153-113-43-17-13-39-107(93)113)177-129(195)157-71-99(35-23-29-53-143)175-135(201)169-83-119(91(9)10)185-139(205)165-79-105(65-95-69-155-115-45-19-15-41-109(95)115)179-131(197)159-73-97(33-21-27-51-141)173-133(199)167-81-117(89(5)6)183-125(191)151-59-61-207-85-123(189)149-57-58-150-124(190)86-208-62-60-152-126(192)184-118(90(7)8)82-168-134(200)174-98(34-22-28-52-142)74-160-132(198)180-106(66-96-70-156-116-46-20-16-42-110(96)116)80-166-140(206)186-120(92(11)12)84-170-136(202)176-100(36-24-30-54-144)72-158-130(196)178-104(64-94-68-154-114-44-18-14-40-108(94)114)78-164-128(194)172-102(38-26-32-56-146)76-162-138(204)182-112(88(3)4)48-50-122(148)188/h13-20,39-46,67-70,87-92,97-106,111-112,117-120,153-156H,21-38,47-66,71-86,141-146H2,1-12H3,(H2,147,187)(H2,148,188)(H,149,189)(H,150,190)(H2,151,183,191)(H2,152,184,192)(H2,157,177,195)(H2,158,178,196)(H2,159,179,197)(H2,160,180,198)(H2,161,181,203)(H2,162,182,204)(H2,163,171,193)(H2,164,172,194)(H2,165,185,205)(H2,166,186,206)(H2,167,173,199)(H2,168,174,200)(H2,169,175,201)(H2,170,176,202)/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111+,112+,117+,118+,119+,120+/m0/s1.
What are the key properties of (4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide?
(4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide has a molecular weight of 2951.90 g/mol, XLogP of 5.51, 101 rotatable bonds, 46 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[2-[2-[2-[[2-[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3R)-6-amino-2-methyl-6-oxohexan-3-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]hexan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]ethylsulfanyl]acetyl]amino]ethylamino]-2-oxoethyl]sulfanylethylcarbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]-3-methylbutyl]carbamoylamino]hexyl]carbamoylamino]-3-(1H-indol-3-yl)propyl]carbamoylamino]hexyl]carbamoylamino]-5-methylhexanamide is sourced from PubChem (CID 134148338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).