acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

C206H305N51O66 — CID 171702754

About acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid (PubChem CID 171702754) has the molecular formula C206H305N51O66 and a molecular weight of 4552.00 g/mol. Its IUPAC name is acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 171702754
• Molecular Formula: C206H305N51O66
• Molecular Weight: 4552.00 g/mol
• Exact Mass: 4549.21
• IUPAC Name: acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
• SMILES: CC(=O)O.CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NNC(C(=O)NC(Cc1ccc(O)cc1)C(=O)C(C)=O)C(C)O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)=O)C(C)CC
• InChI: InChI=1S/C204H301N51O64.C2H4O2/c1-20-102(15)166(252-196(311)138(75-100(11)12)239-200(315)150(93-258)251-191(306)143(82-112-90-215-95-219-112)248-203(318)167(103(16)21-2)253-197(312)139(76-101(13)14)240-201(316)151(94-259)254-255-168(105(18)260)204(319)233-132(169(284)106(19)261)77-108-45-47-113(262)48-46-108)202(317)232-131(58-68-164(280)281)179(294)227-130(57-67-163(278)279)183(298)250-149(92-257)198(313)231-125(52-62-155(210)266)180(295)245-145(84-157(212)268)192(307)228-124(51-61-154(209)265)176(291)223-122(49-59-152(207)263)174(289)225-126(53-63-159(270)271)177(292)221-120(43-31-33-69-205)173(288)244-144(83-156(211)267)193(308)230-127(54-64-160(272)273)178(293)224-123(50-60-153(208)264)175(290)226-128(55-65-161(274)275)181(296)235-135(72-97(5)6)186(301)237-134(71-96(3)4)185(300)229-129(56-66-162(276)277)182(297)236-136(73-98(7)8)188(303)247-147(86-165(282)283)195(310)222-121(44-32-34-70-206)172(287)241-140(79-109-87-216-117-40-28-25-37-114(109)117)184(299)220-104(17)171(286)249-148(91-256)199(314)238-137(74-99(9)10)187(302)242-142(81-111-89-218-119-42-30-27-39-116(111)119)190(305)246-146(85-158(213)269)194(309)243-141(80-110-88-217-118-41-29-26-38-115(110)118)189(304)234-133(170(214)285)78-107-35-23-22-24-36-107;1-2(3)4/h22-30,35-42,45-48,87-90,95-105,120-151,166-168,216-218,254-260,262H,20-21,31-34,43-44,49-86,91-94,205-206H2,1-19H3,(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,285)(H,215,219)(H,220,299)(H,221,292)(H,222,310)(H,223,291)(H,224,293)(H,225,289)(H,226,290)(H,227,294)(H,228,307)(H,229,300)(H,230,308)(H,231,313)(H,232,317)(H,233,319)(H,234,304)(H,235,296)(H,236,297)(H,237,301)(H,238,314)(H,239,315)(H,240,316)(H,241,287)(H,242,302)(H,243,309)(H,244,288)(H,245,295)(H,246,305)(H,247,303)(H,248,318)(H,249,286)(H,250,298)(H,251,306)(H,252,311)(H,253,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283);1H3,(H,3,4)
• InChIKey: UDUHOSWDRIKZRG-UHFFFAOYSA-N
• XLogP: -15.29
• TPSA: 1940.19 Ų
• H-Bond Donors: 64
• H-Bond Acceptors: 63
• Rotatable Bonds: 153
• Heavy Atoms: 323
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4552.00
LogP ≤ 5	-15.29
H-Bond Donors ≤ 5	64
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid (CID 171702754) is acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid is CC(=O)O.CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NNC(C(=O)NC(Cc1ccc(O)cc1)C(=O)C(C)=O)C(C)O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)=O)C(C)CC.

What is the InChIKey of acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is UDUHOSWDRIKZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C204H301N51O64.C2H4O2/c1-20-102(15)166(252-196(311)138(75-100(11)12)239-200(315)150(93-258)251-191(306)143(82-112-90-215-95-219-112)248-203(318)167(103(16)21-2)253-197(312)139(76-101(13)14)240-201(316)151(94-259)254-255-168(105(18)260)204(319)233-132(169(284)106(19)261)77-108-45-47-113(262)48-46-108)202(317)232-131(58-68-164(280)281)179(294)227-130(57-67-163(278)279)183(298)250-149(92-257)198(313)231-125(52-62-155(210)266)180(295)245-145(84-157(212)268)192(307)228-124(51-61-154(209)265)176(291)223-122(49-59-152(207)263)174(289)225-126(53-63-159(270)271)177(292)221-120(43-31-33-69-205)173(288)244-144(83-156(211)267)193(308)230-127(54-64-160(272)273)178(293)224-123(50-60-153(208)264)175(290)226-128(55-65-161(274)275)181(296)235-135(72-97(5)6)186(301)237-134(71-96(3)4)185(300)229-129(56-66-162(276)277)182(297)236-136(73-98(7)8)188(303)247-147(86-165(282)283)195(310)222-121(44-32-34-70-206)172(287)241-140(79-109-87-216-117-40-28-25-37-114(109)117)184(299)220-104(17)171(286)249-148(91-256)199(314)238-137(74-99(9)10)187(302)242-142(81-111-89-218-119-42-30-27-39-116(111)119)190(305)246-146(85-158(213)269)194(309)243-141(80-110-88-217-118-41-29-26-38-115(110)118)189(304)234-133(170(214)285)78-107-35-23-22-24-36-107;1-2(3)4/h22-30,35-42,45-48,87-90,95-105,120-151,166-168,216-218,254-260,262H,20-21,31-34,43-44,49-86,91-94,205-206H2,1-19H3,(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,285)(H,215,219)(H,220,299)(H,221,292)(H,222,310)(H,223,291)(H,224,293)(H,225,289)(H,226,290)(H,227,294)(H,228,307)(H,229,300)(H,230,308)(H,231,313)(H,232,317)(H,233,319)(H,234,304)(H,235,296)(H,236,297)(H,237,301)(H,238,314)(H,239,315)(H,240,316)(H,241,287)(H,242,302)(H,243,309)(H,244,288)(H,245,295)(H,246,305)(H,247,303)(H,248,318)(H,249,286)(H,250,298)(H,251,306)(H,252,311)(H,253,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283);1H3,(H,3,4).

What are the key properties of acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 4552.00 g/mol, XLogP of -15.29, 153 rotatable bonds, 64 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;5-[[6-amino-1-[[4-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-amino-2-[[5-amino-2-[[4-amino-2-[[5-amino-2-[[2-[[4-carboxy-2-[[4-carboxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[2-[[2-[[3-hydroxy-2-[2-[3-hydroxy-1-[[1-(4-hydroxyphenyl)-3,4-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]hydrazinyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 171702754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).