QUINOMYCIN A ,512-64-1 _Chemical Cloud Database

QUINOMYCIN A

Basic Information
Product Name：	QUINOMYCIN A
CAS：	512-64-1
English Synonyms：	ACTINOLEUKIN ; N-[(1R,4S,8R,11S,14R,17S,21R,24S)-3,11,13,16,24,26-HEXAMETHYL-27-METHYLSULFANYL-2,5,9,12,15,18,22,25-OCTAOXO-4,17-DI(PROPAN-2-YL)-8-(QUINOXALINE-2-CARBONYLAMINO)-6,19-DIOXA-28-THIA-3,10,13,16,23,26-HEXAZABICYCLO[12.12.3]NONACOSAN-21-YL]QUINOXALINE-2-CARBOXAMIDE ; ECHINOMYCIN ; QUINOMYCIN A
MDL Number.：	MFCD00156105
H bond acceptor：	24
H bond donor：	4
Smile：	C[C@H]1C(=O)N(C2CSC(C(C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)c3cnc4ccccc4n3)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)c5cnc6ccccc6n5)C)C)SC)C
InChi：	InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)/t27-,28-,35+,36+,37?,38-,39-,40?,51?/m0/s1
InChiKey：	InChIKey=AUJXLBOHYWTPFV-RQLJINDISA-N
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