methyl 2-[[7-(benzothiazol-2-ylcarbamoyl)-5'-[3-(carbamoylamino)prop-1-ynyl]-9-(4-hydroxyphenyl)-2',5-dioxo-2,3-diphenyl-spiro[4-oxa-1-azabicyclo[4.3.0]nonane-8,3'-indole]-1'-carbonyl]amino]-3-methyl-butanoate
Molecular Formula:
C51H45N7O9S
InChI: InChI=1/C51H45N7O9S/c1-28(2)39(45(61)66-3)55-50(65)57-36-25-20-29(13-12-26-53-48(52)64)27-34(36)51(47(57)63)38(44(60)56-49-54-35-18-10-11-19-37(35)68-49)41-46(62)67-42(31-16-8-5-9-17-31)40(30-14-6-4-7-15-30)58(41)43(51)32-21-23-33(59)24-22-32/h4-11,14-25,27-28,38-43,59H,26H2,1-3H3,(H,55,65)(H3,52,53,64)(H,54,56,60)/f/h53,55-56H,52H2
InChIKey: InChIKey=KCLBJLABGPVNTF-YEEJNQKLCQ
SMILES: CC(C)C(C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCNC(=O)N)C3(C1=O)C(C4C(=O)OC(C(N4C3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC8=NC9=CC=CC=C9S8
Names:
methyl 2-[[7-(benzothiazol-2-ylcarbamoyl)-5'-[3-(carbamoylamino)prop-1-ynyl]-9-(4-hydroxyphenyl)-2',5-dioxo-2,3-diphenyl-spiro[4-oxa-1-azabicyclo[4.3.0]nonane-8,3'-indole]-1'-carbonyl]amino]-3-methyl-butanoate
Registries:
PubChem CID 3579810
PubChem ID 4854280
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