triostin A dithiol

Properties Image Occurences in reactions MNX_ID MNXM165196 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C50H64N12O12S2 charge 0 mass 1088.42081 reference metacycM:CPD-18549 InChIKey QYMSXAXODPEORA-SZZROTLHSA-N InChI InChI=1S/C50H64N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38(24-76)48(70)62(10)40(26(3)4)50(72)74-22-36(58-42(64)34-20-52-30-16-12-14-18-32(30)56-34)44(66)54-27(5)45(67)59(7)37(23-75)47(69)61(39)9/h11-20,25-28,35-40,75-76H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)/t27-,28-,35+,36+,37+,38+,39-,40-/m0/s1 SMILES CC(C)[C@H]1C(=O)OC[C@@H](NC(=O)c2cnc3ccccc3n2)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CS)C(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c2cnc3ccccc3n2)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CS)C(=O)N1C

Parent-child relations graph

Deprecated MNXref IDs graph