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Substance Name: Saframycin Y2b
RN: 107140-34-1
InChIKey: HYDKDPMTUAFIPY-LGMIRFABSA-N

Note

  • Isolated from Streptomyces lavendulae.

Molecular Weight

  • 1125.1996
 
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Names and Synonyms

Name of Substance

  • Saframycin Y2b

Synonym

  • Saframycin Y2-b

Systematic Name

  • Propanamide, 2-amino-N-((7-cyano-5-((2-(((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)amino)-1-methyl-2-oxoethyl)amino)-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)-, (5S-(5alpha(R*(6R*,7S*,9S*,14aR*,15S*),6alpha,7alpha,9beta(R*),14aalpha,15alpha)))-

Registry Numbers

CAS Registry Number

  • 107140-34-1

System Generated Number

  • 0107140341

Structure Descriptors

InChI

1S/C58H64N10O14/c1-20-45(69)26-14-30-42-38-28(47(71)22(3)55(81-11)51(38)75)13-29(65(42)7)32(16-59)67(30)34(36(26)49(73)53(20)79-9)19-63-58(78)25(6)64-41-39-40(52(76)56(82-12)23(4)48(39)72)43-31-15-27-37(50(74)54(80-10)21(2)46(27)70)35(18-62-57(77)24(5)61)68(31)33(17-60)44(41)66(43)8/h24-25,29-35,41-44,64H,13-15,18-19,61H2,1-12H3,(H,62,77)(H,63,78)/t24-,25-,29+,30-,31-,32-,33-,34-,35-,41-,42+,43+,44-/m0/s1

InChIKey

HYDKDPMTUAFIPY-LGMIRFABSA-N

Smiles

CC1=C(C(=O)C2=C(C1=O)C[C@H]3[C@@H]4C5=C([C@@H]([C@@H](N4C)[C@@H](N3[C@H]2CNC(=O)[C@H](C)N)C#N)N[C@@H](C)C(=O)NC[C@H]6C7=C(C[C@@H]8N6[C@H]([C@H]9CC1=C([C@@H]8N9C)C(=O)C(=C(C1=O)C)OC)C#N)C(=O)C(=C(C7=O)OC)C)C(=O)C(=C(C5=O)OC)C)OC