Microcin C

Chemical Formula:

C₄₃H₇₁N₁₉O₁₉PS

Molecular Weight:

1221.184 Daltons

Monoisotopic Mass:

1221.4710184299001 Daltons

SMILES:

CC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CCSC)C(=O)NC=O)CCCNC(=[N+])N)C(O)C)CC(=O)N)NC(NC(CC(=O)[O-])C(=O)NP(=O)(OCC3(C(O)C(O)C(N2(C=NC1(=C(N)N=CN=C12)))O3))OCCC[N+])=O

InChI:

1S/C43H70N19O19PS/c1-19(55-43(77)59-24(13-28(67)68)39(75)61-82(78,79-10-5-8-44)80-15-25-31(69)32(70)41(81-25)62-17-53-30-33(46)51-16-52-34(30)62)35(71)58-23(12-26(45)65)37(73)50-14-27(66)60-29(20(2)64)40(76)57-21(6-4-9-49-42(47)48)38(74)56-22(7-11-83-3)36(72)54-18-63/h16-25,29,31-32,41,64,69-70H,4-15,44H2,1-3H3,(H2,45,65)(H,50,73)(H,56,74)(H,57,76)(H,58,71)(H,60,66)(H,67,68)(H2,46,51,52)(H4,47,48,49)(H,54,63,72)(H2,55,59,77)(H,61,75,78)/p+1/t19-,20+,21-,22+,23-,24?,25-,29-,31-,32-,41-,82?/m0/s1

InChIKey:

RQCFORDIEPPUKZ-LUOWQNIOSA-O

Databases

MetaCyc: CPD0-1129

PubChem (CID): 50986153