(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid

C137H229N43O48 — CID 170844851

About (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 170844851) has the molecular formula C137H229N43O48 and a molecular weight of 3246.59 g/mol. Its IUPAC name is (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

• Compound Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
• PubChem CID: 170844851
• Molecular Formula: C137H229N43O48
• Molecular Weight: 3246.59 g/mol
• Exact Mass: 3244.68
• IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
• SMILES: O=C(O)CC(O)(CC(=O)O)C(=O)O.[H]/N=C(\O)CC[C@H](/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@H](C)/N=C(\O)C/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](/N=C(\O)[C@H](Cc1ccccc1)/N=C(\O)[C@@H](/N=C(\O)C/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)/C(O)=N/[C@@H](CCCN/C(N)=N/[H])/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CCC(=O)O)/C(O)=N/C/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@H](/C(O)=N/[H])C(C)C
• InChI: InChI=1S/C131H221N43O41.C6H8O7/c1-61(2)45-83(121(209)173-101(67(13)14)104(134)192)153-95(182)55-149-108(196)79(33-38-98(186)187)159-117(205)86(48-64(7)8)167-119(207)87(49-65(9)10)165-112(200)76(29-23-43-146-130(139)140)155-114(202)81(31-36-93(133)180)161-118(206)85(47-63(5)6)163-111(199)74(27-21-41-144-128(135)136)154-105(193)68(15)152-94(181)54-148-107(195)78(32-37-97(184)185)158-110(198)75(28-22-42-145-129(137)138)156-116(204)84(46-62(3)4)164-113(201)77(30-24-44-147-131(141)142)157-124(212)91(58-176)170-120(208)88(50-66(11)12)166-115(203)82(35-40-100(190)191)162-125(213)92(59-177)171-127(215)103(70(17)179)174-122(210)89(51-71-25-19-18-20-26-71)168-126(214)102(69(16)178)172-96(183)56-150-109(197)80(34-39-99(188)189)160-123(211)90(57-175)169-106(194)73(132)52-72-53-143-60-151-72;7-3(8)1-6(13,5(11)12)2-4(9)10/h18-20,25-26,53,60-70,73-92,101-103,175-179H,21-24,27-52,54-59,132H2,1-17H3,(H2,133,180)(H2,134,192)(H,143,151)(H,148,195)(H,149,196)(H,150,197)(H,152,181)(H,153,182)(H,154,193)(H,155,202)(H,156,204)(H,157,212)(H,158,198)(H,159,205)(H,160,211)(H,161,206)(H,162,213)(H,163,199)(H,164,201)(H,165,200)(H,166,203)(H,167,207)(H,168,214)(H,169,194)(H,170,208)(H,171,215)(H,172,183)(H,173,209)(H,174,210)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H4,135,136,144)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t68-,69+,70+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-,102-,103-;/m0./s1
• InChIKey: NQRAFZRVWDDECI-MREVIWKZSA-N
• XLogP: 6.67
• TPSA: 1620.28 Ų
• H-Bond Donors: 57
• H-Bond Acceptors: 47
• Rotatable Bonds: 111
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3246.59
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	57
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?

The IUPAC name of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 170844851) is (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.

What is the SMILES notation for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?

The canonical SMILES for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.[H]/N=C(\O)CC[C@H](/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@H](C)/N=C(\O)C/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](/N=C(\O)[C@H](Cc1ccccc1)/N=C(\O)[C@@H](/N=C(\O)C/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)/C(O)=N/[C@@H](CCCN/C(N)=N/[H])/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CCC(=O)O)/C(O)=N/C/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@H](/C(O)=N/[H])C(C)C.

What is the InChIKey of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?

The InChIKey is NQRAFZRVWDDECI-MREVIWKZSA-N. The full InChI is InChI=1S/C131H221N43O41.C6H8O7/c1-61(2)45-83(121(209)173-101(67(13)14)104(134)192)153-95(182)55-149-108(196)79(33-38-98(186)187)159-117(205)86(48-64(7)8)167-119(207)87(49-65(9)10)165-112(200)76(29-23-43-146-130(139)140)155-114(202)81(31-36-93(133)180)161-118(206)85(47-63(5)6)163-111(199)74(27-21-41-144-128(135)136)154-105(193)68(15)152-94(181)54-148-107(195)78(32-37-97(184)185)158-110(198)75(28-22-42-145-129(137)138)156-116(204)84(46-62(3)4)164-113(201)77(30-24-44-147-131(141)142)157-124(212)91(58-176)170-120(208)88(50-66(11)12)166-115(203)82(35-40-100(190)191)162-125(213)92(59-177)171-127(215)103(70(17)179)174-122(210)89(51-71-25-19-18-20-26-71)168-126(214)102(69(16)178)172-96(183)56-150-109(197)80(34-39-99(188)189)160-123(211)90(57-175)169-106(194)73(132)52-72-53-143-60-151-72;7-3(8)1-6(13,5(11)12)2-4(9)10/h18-20,25-26,53,60-70,73-92,101-103,175-179H,21-24,27-52,54-59,132H2,1-17H3,(H2,133,180)(H2,134,192)(H,143,151)(H,148,195)(H,149,196)(H,150,197)(H,152,181)(H,153,182)(H,154,193)(H,155,202)(H,156,204)(H,157,212)(H,158,198)(H,159,205)(H,160,211)(H,161,206)(H,162,213)(H,163,199)(H,164,201)(H,165,200)(H,166,203)(H,167,207)(H,168,214)(H,169,194)(H,170,208)(H,171,215)(H,172,183)(H,173,209)(H,174,210)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H4,135,136,144)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t68-,69+,70+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-,102-,103-;/m0./s1.

What are the key properties of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 3246.59 g/mol, XLogP of 6.67, 111 rotatable bonds, 57 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 170844851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).