Thioviridamide; N1-Deacyl, N1-(2-hydroxypropanoyl) 

AlkaPlorer ID: AK316061

Synonym: JBIR 140

IUPAC Name: None

Structure

SMILES: CCC(C)C1NC(=O)C(NC(=O)C(C)NC(=S)C(C)NC(=S)C(C)NC(=S)C(C)NC(=S)C(CCSC)NC(=S)C(NC(=O)C(C)O)C(C)C)CSC=CNC(=O)C(C(O)C2=CN(C)C=[N+]2C)NC(=O)C(CC(C)C)NC(=O)C(C)NC1=O

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InChI: InChI=1S/C53H88N14O9S7/c1-16-27(6)39-48(76)55-28(7)42(70)60-35(21-25(2)3)45(73)65-40(41(69)37-22-66(13)24-67(37)14)47(75)54-18-20-83-23-36(46(74)64-39)61-43(71)29(8)56-49(77)30(9)57-50(78)31(10)58-51(79)32(11)59-52(80)34(17-19-82-15)62-53(81)38(26(4)5)63-44(72)33(12)68/h18,20,22,24-36,38-41,68-69H,16-17,19,21,23H2,1-15H3,(H11-,54,55,56,57,58,59,60,61,62,63,64,65,70,71,72,73,74,75,76,77,78,79,80,81)/p+1

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InChIKey: VDJSWJNUXPYZTG-UHFFFAOYSA-O

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Reference

CAS: 1809092-49-6

Properties Information

Molecule Weight: 1290.8529999999996

TPSA: 313.1199999999999

MolLogP: 0.5356000000000042

Number of H-Donors: 14

Number of H-Acceptors: 17

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information