Quinomycin A

PubChem Notes:

Echinomycin A cytotoxic polypeptide quinoxaline antibiotic isolated from Streptomyces echinatus that binds to DNA and inhibits RNA synthesis.

Molecular Formula: C51H64N12O12S2


InChI: InChI=1/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)/f/h54-55,58-59H

InChIKey: InChIKey=AUJXLBOHYWTPFV-VTWGARBSCG
SMILES: CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C

Names:
    BRN 0078671
    Echinomycin
    NSC 526417
    N-[3,11,13,16,24,26-hexamethyl-27-methylsulfanyl-2,5,9,12,15,18,22,25-octaoxo-4,17-dipropan-2-yl-8-(quinoxaline-2-carbonylamino)-6,19-dioxa-28-thia-3,10,13,16,23,26-hexazabicyclo[12.12.3]nonacos-21-yl]quinoxaline-2-carboxamide
    Quinomycin A (9CI)
    Quinomycin A
    SK 302B
    S-426-S (Lepetit)
    11016-61-8
    4-27-00-09726 (Beilstein Handbook Reference)
    512-64-1

Registries:
    PubChem CID 3197
    PubChem ID 153828