N-[6-methanoyl-4,7,9,17,20,22-hexamethyl-2,5,8,11,15,18,21,24-octakis(oxidanylidene)-3,16-di(propan-2-yl)-25-(quinoxalin-2-ylcarbonylamino)-19-(sulfanylmethyl)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[6-methanoyl-4,7,9,17,20,22-hexamethyl-2,5,8,11,15,18,21,24-octakis(oxidanylidene)-3,16-di(propan-2-yl)-25-(quinoxalin-2-ylcarbonylamino)-19-(sulfanylmethyl)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]quinoxaline-2-carboxamide Openeye Name: N-[6-formyl-3,16-diisopropyl-4,7,9,17,20,22-hexamethyl-2,5,8,11,15,18,21,24-octaoxo-25-(quinoxaline-2-carbonylamino)-19-(sulfanylmethyl)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]quinoxaline-2-carboxamide CAS Name: N-[6-formyl-19-(mercaptomethyl)-4,7,9,17,20,22-hexamethyl-2,5,8,11,15,18,21,24-octaoxo-25-[[oxo(2-quinoxalinyl)methyl]amino]-3,16-di(propan-2-yl)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[6-formyl-4,7,9,17,20,22-hexamethyl-2,5,8,11,15,18,21,24-octaoxo-3,16-di(propan-2-yl)-25-(quinoxaline-2-carbonylamino)-19-(sulfanylmethyl)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]quinoxaline-2-carboxamide Traditional Name: N-[6-formyl-3,16-diisopropyl-2,5,8,11,15,18,21,24-octaketo-19-(mercaptomethyl)-4,7,9,17,20,22-hexamethyl-25-(quinoxaline-2-carbonylamino)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]quinoxaline-2-carboxamide Formula: C50H62N12O13S MolecularWeight: 1071.16488

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(C(=O)N(C(C(=O)OCC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C2=NC3=CC=CC=C3N=C2)C(C)C)C)C=O)C)C)NC(=O)C4=NC5=CC=CC=C5N=C4)C(C)C)C)CS)C

Isomeric SMILES

CC1C(=O)N(C(C(=O)N(C(C(=O)OCC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C2=NC3=CC=CC=C3N=C2)C(C)C)C)C=O)C)C)NC(=O)C4=NC5=CC=CC=C5N=C4)C(C)C)C)CS)C

InChI

InChI=1S/C50H62N12O13S/c1-25(2)39-49(72)74-22-36(58-42(65)34-20-52-30-16-12-14-18-32(30)56-34)44(67)54-28(6)46(69)60(8)38(24-76)48(71)62(10)40(26(3)4)50(73)75-23-35(57-41(64)33-19-51-29-15-11-13-17-31(29)55-33)43(66)53-27(5)45(68)59(7)37(21-63)47(70)61(39)9/h11-21,25-28,35-40,76H,22-24H2,1-10H3,(H,53,66)(H,54,67)(H,57,64)(H,58,65)