benzyl N-(11,24-dimethyl-2,5,9,12,15,18,22,25-octaoxo-8-phenylmethoxycarbonylamino-4,17-dipropan-2-yl-6,19-dioxa-28,29-dithia-3,10,13,16,23,26-hexazabicyclo[12.12.4]triacont-21-yl)carbamate
Molecular Formula:
C44H58N8O14S2
InChI: InChI=1/C44H58N8O14S2/c1-23(2)33-41(59)63-19-29(49-43(61)65-17-27-13-9-7-10-14-27)37(55)45-26(6)36(54)48-32-22-68-67-21-31(39(57)51-33)47-35(53)25(5)46-38(56)30(20-64-42(60)34(24(3)4)52-40(32)58)50-44(62)66-18-28-15-11-8-12-16-28/h7-16,23-26,29-34H,17-22H2,1-6H3,(H,45,55)(H,46,56)(H,47,53)(H,48,54)(H,49,61)(H,50,62)(H,51,57)(H,52,58)/f/h45-52H
InChIKey: InChIKey=VACNEHMJUCTSDI-CFTKCMOTCQ
SMILES: CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)OCC(C(=O)N1)NC(=O)OCC3=CC=CC=C3)C(C)C)NC(=O)C(NC(=O)C(COC(=O)C(NC2=O)C(C)C)NC(=O)OCC4=CC=CC=C4)C
Names:
benzyl N-(11,24-dimethyl-2,5,9,12,15,18,22,25-octaoxo-8-phenylmethoxycarbonylamino-4,17-dipropan-2-yl-6,19-dioxa-28,29-dithia-3,10,13,16,23,26-hexazabicyclo[12.12.4]triacont-21-yl)carbamate
Registries:
PubChem CID 152356
PubChem ID 10251505
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