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Substance Name: Quinomycin A, 3-(N-methylcysteine)-7-(N-methyl-3-oxoalanine)- 8,4,4
RN: 68748-24-3
InChIKey: SYDIHCBTSXCXNQ-UHFFFAOYSA-N

Molecular Formula

  • C50-H62-N12-O13-S

Molecular Weight

  • 1071.18
 
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Names and Synonyms

  • Quinomycin A, 3-(N-methylcysteine)-7-(N-methyl-3-oxoalanine)- 8,4,4

Registry Numbers

CAS Registry Number

  • 68748-24-3

System Generated Number

  • 0068748243

Structure Descriptors

InChI

1S/C50H62N12O13S/c1-25(2)39-49(72)74-22-36(58-42(65)34-20-52-30-16-12-14-18-32(30)56-34)44(67)54-28(6)46(69)60(8)38(24-76)48(71)62(10)40(26(3)4)50(73)75-23-35(57-41(64)33-19-51-29-15-11-13-17-31(29)55-33)43(66)53-27(5)45(68)59(7)37(21-63)47(70)61(39)9/h11-21,25-28,35-40,76H,22-24H2,1-10H3,(H,53,66)(H,54,67)(H,57,64)(H,58,65)

InChIKey

SYDIHCBTSXCXNQ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(cn2)C(N[C@@H]1COC([C@@H](N(C(=O)[C@@H](CS)N(C)C([C@@H](NC([C@@H](NC(c2cnc3ccccc3n2)=O)COC(=O)[C@@H](C(C)C)N(C)C([C@@H](N(C([C@@H](NC1=O)C)=O)C)C=O)=O)=O)C)=O)C)C(C)C)=O)=O