(6R,9R,12R,15R,18R,24S,27R)-24-Acetamido-1,1,27-triamino-6-carbamoyl-12,15,18-tris{3-[(diaminomethylene)amino]propyl}-9,21-dimethyl-8,11,14,17,20,23-hexaoxo-26,27-disulfanyl-2,7,10,13,16,19,22-heptaaz aoctacos-1-en-28-oic acid (non-preferred name)

More details:

• Systematic name

  (6R,9R,12R,15R,18R,24S,27R)-24-Acetamido-1,1,27-triamino-6-carbamoyl-12,15,18-tris{3-[(diaminomethylene)amino]propyl}-9,21-dimethyl-8,11,14,17,20,23-hexaoxo-26,27-disulfanyl-2,7,10,13,16,19,22-heptaaz aoctacos-1-en-28-oic acid (non-preferred name)

• SMILES

  CC(=O)N[C@@H](CC(S)[C@](N)(S)C(O)=O)C(=O)NC(C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@H](CCCN=C(N)N)C(N)=O

• Std. InChi

  InChI=1S/C38H73N21O10S2/c1-17(27(62)56-20(26(39)61)8-4-12-49-34(40)41)53-29(64)21(9-5-13-50-35(42)43)58-31(66)23(11-7-15-52-37(46)47)59-30(65)22(10-6-14-51-36(44)45)57-28(63)18(2)54-32(67)24(55-19(3)60)16-25(70)38(48,71)33(68)69/h17-18,20-25,70-71H,4-16,48H2,1-3H3,(H2,39,61)(H,53,64)(H,54,67)(H,55,60)(H,56,62)(H,57,63)(H,58,66)(H,59,65)(H,68,69)(H4,40,41,49)(H4,42,43,50)(H4,44,45,51)(H4,46,47,52)/t17-,18?,20-,21-,22-,23-,24+,25?,38+/m1/s1

• Std. InChIKey

  HQGWMVNIZKNABK-FOKVWUNKSA-N

• Cite this record

  CSID:128910378, http://www.chemspider.com/Chemical-Structure.128910378.html (accessed 22:37, May 6, 2024)