(2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid

C99H140N20O17 — CID 45479317

IUPAC(2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid
SMILESCC(C)C[C@@H](/N=C(\O)[C@H](C)/N=C(\O)C/N=C(\O)[C@@H](/N=C/O)C(C)C)/C(O)=N/[C@@H](C)/C(O)=N/[C@@H](/C(O)=N/[C@H](/C(O)=N/[C@@H](/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/CCO)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83+,84+,85-/m0/s1
InChIKeyZWCXYZRRTRDGQE-LUPIJMBPSA-N
MW1882.33 g/mol
LogP17.82
Rot. Bonds52

About (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid

(2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid (PubChem CID 45479317) has the molecular formula C99H140N20O17 and a molecular weight of 1882.33 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid
PubChem CID45479317
Molecular FormulaC99H140N20O17
Molecular Weight1882.33 g/mol
Exact Mass1881.07
IUPAC Name(2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid
SMILESCC(C)C[C@@H](/N=C(\O)[C@H](C)/N=C(\O)C/N=C(\O)[C@@H](/N=C/O)C(C)C)/C(O)=N/[C@@H](C)/C(O)=N/[C@@H](/C(O)=N/[C@H](/C(O)=N/[C@@H](/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/CCO)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83+,84+,85-/m0/s1
InChIKeyZWCXYZRRTRDGQE-LUPIJMBPSA-N
XLogP17.82
TPSA604.83 Ų
H-Bond Donors21
H-Bond Acceptors17
Rotatable Bonds52
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001882.33
LogP ≤ 517.82
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid with MolForge

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Related Compounds

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3,3-Di(1H-indol-3-yl)propane-1,2-diol
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Ac-Val-Gly-Ala-D-Leu-Ala-D-Val-Val-D-Val-Trp-D-Leu-Trp-D-Leu-Trp-D-Leu-Trp-Gly-ol
CID 134144563
1H-Indole-3-heptanol, eta-1H-indol-3-yl-alpha,alpha,epsilon-trimethyl-
CID 106919
2,4-Di(1H-indol-3-yl)butan-1-ol
CID 340898
Krwwkwirw
CID 44572827
H-Gly-Gly-Gly-Gly-Gly-Gly-Ala-Val-Pro-Gly-Ser-Trp-Pro-Trp-OH
CID 78224646
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CID 145948580

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid?
The IUPAC name of (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid (CID 45479317) is (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid.
What is the SMILES notation for (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid?
The canonical SMILES for (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid is CC(C)C[C@@H](/N=C(\O)[C@H](C)/N=C(\O)C/N=C(\O)[C@@H](/N=C/O)C(C)C)/C(O)=N/[C@@H](C)/C(O)=N/[C@@H](/C(O)=N/[C@H](/C(O)=N/[C@@H](/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/CCO)C(C)C)C(C)C)C(C)C.
What is the InChIKey of (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid?
The InChIKey is ZWCXYZRRTRDGQE-LUPIJMBPSA-N. The full InChI is InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83+,84+,85-/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid?
(2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid has a molecular weight of 1882.33 g/mol, XLogP of 17.82, 52 rotatable bonds, 21 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid is sourced from PubChem (CID 45479317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).