24-31

AlkaPlorer ID: AK010226

Synonym: '', 'Microviridin E'

IUPAC Name: None

Structure

SMILES: COC(=O)CC[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CC(=O)O[C@H](C)[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](CC3=CC=CC=C3)N=C(C)O)C(O)=N[C@@H](CC3=CC=C(O)C=C3)C(O)=N[C@@H](CCCCN=C(O)C[C@@H](C(O)=N[C@@H](CC3=CC=CC=C3)C(=O)O)N=C1O)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CO)C(O)=N2

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InChI: InChI=1S/C82H100N14O24/c1-45-69(95-78(113)64(44-98)93-72(107)56(84-46(2)99)36-47-16-7-4-8-17-47)80(115)90-58(38-50-24-28-52(100)29-25-50)74(109)85-54-22-13-14-34-83-66(102)41-59(75(110)92-62(82(117)118)40-49-20-11-6-12-21-49)88-71(106)55(32-33-67(103)119-3)86-73(108)57(37-48-18-9-5-10-19-48)87-76(111)60(42-68(104)120-45)89-77(112)63(43-97)94-79(114)65-23-15-35-96(65)81(116)61(91-70(54)105)39-51-26-30-53(101)31-27-51/h4-12,16-21,24-31,45,54-65,69,97-98,100-101H,13-15,22-23,32-44H2,1-3H3,(H,83,102)(H,84,99)(H,85,109)(H,86,108)(H,87,111)(H,88,106)(H,89,112)(H,90,115)(H,91,105)(H,92,110)(H,93,107)(H,94,114)(H,95,113)(H,117,118)/t45-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,69+/m1/s1

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InChIKey: BNCSFXKJMAWFSD-FBBTTXGWSA-N

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Reference

PubChem CID: 155801661

SuperNatural Ⅲ: SN0030064-02

NPASS: NPC49508

Properties Information

Molecule Weight: 1665.776000000001

TPSA: 614.8000000000003

MolLogP: 7.41150000000002

Number of H-Donors: 18

Number of H-Acceptors: 23

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information