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Substance Name: Saframycin Y3
RN: 98205-62-0
InChIKey: KLKJKXQSKPPFSJ-XFPFBUNZSA-N

Note

  • Antitumor antibiotic produced by Streptomyces lavendulae.

Molecular Weight

  • 563.608
 
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Names and Synonyms

Name of Substance

  • Saframycin Y3

Synonym

  • Saframycin-Y3

Systematic Name

  • Propanamide, 2-amino-N-((7-cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-, (6R-(6alpha,7beta,9alpha(S*),14abeta,15alpha))-

Registry Numbers

CAS Registry Number

  • 98205-62-0

System Generated Number

  • 0098205620

Structure Descriptors

InChI

1S/C29H33N5O7/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(33(22)4)18(9-30)34(17)19(10-32-29(39)13(3)31)20(14)25(37)27(11)40-5/h13,16-19,22H,7-8,10,31H2,1-6H3,(H,32,39)/t13-,16+,17-,18?,19-,22+/m0/s1

InChIKey

KLKJKXQSKPPFSJ-XFPFBUNZSA-N

Smiles

C1(=C(OC)C(=O)C2=C(C1=O)C[C@H]1[C@@H]3C4=C(C[C@@H]([C@@H]([N@@]1[C@H]2CNC([C@H](C)N)=O)C#N)[N@@]3C)C(=O)C(C)=C(OC)C4=O)C