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Substance Name: Mafodotin [USAN]
RN: 863971-19-1
UNII: O19V2N6W9T
InChIKey: ORFNVPGICPYLJV-YTVPMEHESA-N

Molecular Formula

  • C49-H76-N6-O11

Molecular Weight

  • 925.1704
 
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Names and Synonyms

Name of Substance

  • Mafodotin [USAN]

Synonyms

  • L-Phenylalanine, N-(6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-N-methyl-L- valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(alphaR,betaR,2S)-beta- methoxy-alpha-methyl-2-pyrrolidinepropanoyl-
  • Mafodotin
  • Maleimidocaproyl monomethylauristatin F
  • mc-MMAF, mcMMAF, SGD-1269
  • UNII-O19V2N6W9T

Systematic Name

  • N-((2R,3R)-3-((2S)-1-((3R,4S,5S)-4-((N-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1- yl)hexanoyl)-N-methyl-L-valyl-L-valyl)methylamino)-3-methoxy-5- methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)-L-phenylalanine

Registry Numbers

CAS Registry Number

  • 863971-19-1

FDA UNII

  • O19V2N6W9T

Other Registry Number

  • 1104076-44-9

System Generated Number

  • 0863971191

Structure Descriptors

InChI

1S/C49H76N6O11/c1-12-32(6)44(37(65-10)29-41(59)54-27-19-22-36(54)45(66-11)33(7)46(60)50-35(49(63)64)28-34-20-15-13-16-21-34)53(9)48(62)42(30(2)3)51-47(61)43(31(4)5)52(8)38(56)23-17-14-18-26-55-39(57)24-25-40(55)58/h13,15-16,20-21,24-25,30-33,35-37,42-45H,12,14,17-19,22-23,26-29H2,1-11H3,(H,50,60)(H,51,61)(H,63,64)/t32-,33+,35-,36-,37+,42-,43-,44-,45+/m0/s1

InChIKey

ORFNVPGICPYLJV-YTVPMEHESA-N

Smiles

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)C=CC3=O)C(C)C