3-hydroxy-N-[(1S,8R,14S,21R)-8-[(3-hydroxyquinoline-2-carbonyl)amino]-3,13,16,26-tetramethyl-4,17-dimethylidene-2,5,9,12,15,18,22,25-octaoxo-6,19,28,29-tetrathia-3,10,13,16,23,26-hexazabicyclo[12.12.4]triacont-21-yl]quinoline-2-carboxamide
Molecular Formula:
C46H48N10O12S4
InChI: InChI=1/C46H48N10O12S4/c1-23-45(67)69-19-29(51-41(63)37-33(57)15-25-11-7-9-13-27(25)49-37)39(61)47-18-36(60)56(6)32-22-72-71-21-31(43(65)53(23)3)55(5)35(59)17-48-40(62)30(20-70-46(68)24(2)54(4)44(32)66)52-42(64)38-34(58)16-26-12-8-10-14-28(26)50-38/h7-16,29-32,57-58H,1-2,17-22H2,3-6H3,(H,47,61)(H,48,62)(H,51,63)(H,52,64)/t29-,30-,31+,32+/m1/s1/f/h47-48,51-52H
InChIKey: InChIKey=QLOZXPNJEDVFIH-VNJNANJKDI
SMILES: CN1C2CSSCC(C(=O)N(C(=C)C(=O)SCC(C(=O)NCC1=O)NC(=O)C3=NC4=CC=CC=C4C=C3O)C)N(C(=O)CNC(=O)C(CSC(=O)C(=C)N(C2=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C
Names:
3-hydroxy-N-[(1S,8R,14S,21R)-8-[(3-hydroxyquinoline-2-carbonyl)amino]-3,13,16,26-tetramethyl-4,17-dimethylidene-2,5,9,12,15,18,22,25-octaoxo-6,19,28,29-tetrathia-3,10,13,16,23,26-hexazabicyclo[12.12.4]triacont-21-yl]quinoline-2-carboxamide
Registries:
PubChem CID 164474
PubChem ID 10255472
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