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Substance Name: 1QN-Echinomycin
RN: 77195-99-4
InChIKey: ITWKZNYKGRGXPU-UHFFFAOYSA-N

Note

  • One quinoxaline moiety of echinomycin is replaced by a quinoline moiety.

Molecular Weight

  • 1100.28
 
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Names and Synonyms

Name of Substance

  • 1QN-Echinomycin

Systematic Name

  • Quinomycin A, 1-(N-(2-quinolinylcarbonyl)-D-serine)-

Registry Numbers

CAS Registry Number

  • 77195-99-4

System Generated Number

  • 0077195994

Structure Descriptors

InChI

1S/C52H65N11O12S2/c1-26(2)39-50(72)74-24-37(59-43(65)35-22-53-32-18-14-15-19-33(32)57-35)45(67)55-29(6)47(69)63(10)41-49(71)62(9)40(27(3)4)51(73)75-23-36(58-42(64)34-21-20-30-16-12-13-17-31(30)56-34)44(66)54-28(5)46(68)60(7)38(48(70)61(39)8)25-77-52(41)76-11/h12-22,26-29,36-41,52H,23-25H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)

InChIKey

ITWKZNYKGRGXPU-UHFFFAOYSA-N

Smiles

n1c2c(nc(c1)C(N[C@@H]1C(N[C@@H](C(N([C@@H]3C(N([C@@H](C(=O)OC[C@@H](C(=O)N[C@@H](C(N([C@@H](CS[C@@H]3SC)C(N([C@@H](C(OC1)=O)C(C)C)C)=O)C)=O)C)NC(c1ccc3c(cccc3)n1)=O)C(C)C)C)=O)C)=O)C)=O)=O)cccc2