31364-42-8 Purity
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Specification
The PubChem CID for DCG04 is 71296083.
The molecular formula of DCG04 is C43H66N8O11S.
The synonyms for DCG04 include DCG04, 314263-42-8, DCG-04, ethyl 3-(((4S,7S,17S)-17-carbamoyl-7-(4-hydroxybenzyl)-2-methyl-5,8,15,23-tetraoxo-27-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,16,22-tetraazaheptacosan-4-yl)carbamoyl)oxirane-2-carboxylate, and CD-892.
The molecular weight of DCG04 is 903.1 g/mol.
DCG04 was created on April 2, 2013.
DCG04 was last modified on December 30, 2023.
The IUPAC name of DCG04 is ethyl 3-[[(2S)-1-[[(2S)-1-[[6-[[(2S)-1-amino-1-oxo-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexan-2-yl]amino]-6-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate.
The InChI of DCG04 is InChI=1S/C43H66N8O11S/c1-4-61-42(59)37-36(62-37)41(58)49-29(22-25(2)3)40(57)48-30(23-26-16-18-27(52)19-17-26)39(56)46-21-10-5-6-15-34(54)47-28(38(44)55)12-9-11-20-45-33(53)14-8-7-13-32-35-31(24-63-32)50-43(60)51-35/h16-19,25,28-32,35-37,52H,4-15,20-24H2,1-3H3,(H2,44,55)(H,45,53)(H,46,56)(H,47,54)(H,48,57)(H,49,58)(H2,50,51,60)/t28-,29-,30-,31?,32?,35?,36?,37?/m0/s1.
The InChIKey of DCG04 is MHOVYDVXSWUHAZ-NNBHGYTGSA-N.
The canonical SMILES of DCG04 is CCOC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCCCCCC(=O)NC(CCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)N.