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Substance Name: Phomopsin A, 1-(erythro-beta,3-dihydroxy-N-methyl-L-tyrosine)-
RN: 64925-81-1
InChIKey: FHJKRASPFQAQCV-LJAYGYSGSA-N

Molecular Formula

  • C36-H46-N6-O12

Molecular Weight

  • 754.7894
 
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Names and Synonyms

  • Phomopsin A, 1-(erythro-beta,3-dihydroxy-N-methyl-L-tyrosine)-

Registry Numbers

CAS Registry Number

  • 64925-81-1

System Generated Number

  • 0064925811

Structure Descriptors

InChI

1S/C36H46N6O12/c1-8-18(5)26(32(49)38-20(35(52)53)16-24(44)45)40-30(47)21-11-10-14-42(21)34(51)29-36(6,9-2)54-23-15-19(12-13-22(23)43)28(46)27(37-7)33(50)39-25(17(3)4)31(48)41-29/h10-13,15-16,21,25,27-29,37,43,46H,3,8-9,14H2,1-2,4-7H3,(H,38,49)(H,39,50)(H,40,47)(H,41,48)(H,44,45)(H,52,53)/b20-16-,26-18+/t21?,25?,27-,28?,29?,36?/m0/s1

InChIKey

FHJKRASPFQAQCV-LJAYGYSGSA-N

Smiles

CC/C(=C(\C(=O)N/C(=C\C(=O)O)/C(=O)O)/NC(=O)C1C=CCN1C(=O)C2C(Oc3cc(ccc3O)C([C@@H](C(=O)NC(C(=O)N2)C(=C)C)NC)O)(C)CC)/C