UNPD182799

AlkaPlorer ID: AK319742

Synonym: None

IUPAC Name: None

Structure

SMILES: C/C=C(\N=C(O)CN=C(O)[C@H](C)[C@@H](O)/C=C\C(C)=C\[C@H](C)CC)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@H]1C(O)=N[C@H](COC)C(O)=NCC(O)=N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(O)=N[C@H]([C@H](OC)C2=CC=C(O)C=C2)C(=O)N2CC[C@H](Cl)C[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(=N)O)[C@H](C)N

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InChI: InChI=1S/C66H102ClN13O19/c1-16-32(5)26-33(6)18-23-46(83)36(9)57(87)70-29-48(85)73-43(17-2)59(89)76-50(37(10)68)61(91)75-49(34(7)35(8)56(69)86)60(90)77-51-54(31(3)4)99-66(96)45-27-41(67)24-25-80(45)65(95)52(55(98-15)40-19-21-42(82)22-20-40)78-63(93)53(39(12)81)79(13)64(94)38(11)72-47(84)28-71-58(88)44(30-97-14)74-62(51)92/h17-23,26,31-32,34-39,41,44-46,49-55,81-83H,16,24-25,27-30,68H2,1-15H3,(H2,69,86)(H,70,87)(H,71,88)(H,72,84)(H,73,85)(H,74,92)(H,75,91)(H,76,89)(H,77,90)(H,78,93)/b23-18-,33-26+,43-17-/t32-,34+,35-,36-,37+,38+,39-,41+,44-,45+,46+,49+,50+,51-,52-,53+,54-,55-/m1/s1

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InChIKey: JTGKDTRWYWFPLP-BOSFSHHLSA-N

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Reference

SuperNatural Ⅲ: SN0174614-04

NPASS: NPC291432

Properties Information

Molecule Weight: 1417.0669999999998

TPSA: 509.4800000000001

MolLogP: 6.557770000000018

Number of H-Donors: 15

Number of H-Acceptors: 20

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information