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AG001VDM

160800-57-7 | L-Valinamide, N,N-dimethyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-

Chemical structure of L-Valinamide, N,N-dimethyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-, CAS 160800-57-7
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CAS Number 160800-57-7
Catalog Number AG001VDM(AGN-PC-0Q7X4U)
Chemical Name L-Valinamide, N,N-dimethyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-
IUPAC Name (2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
InChI InChI=1S/C40H69N5O7/c1-14-26(6)35(44(11)40(50)33(24(2)3)42-39(49)34(25(4)5)43(9)10)31(51-12)23-32(46)45-22-18-21-30(45)37(52-13)27(7)38(48)41-28(8)36(47)29-19-16-15-17-20-29/h15-17,19-20,24-28,30-31,33-37,47H,14,18,21-23H2,1-13H3,(H,41,48)(H,42,49)/t26-,27+,28+,30-,31+,33-,34-,35-,36+,37+/m0/s1
InChI Key WOWDZACBATWTAU-FEFUEGSOSA-N
MDL Number MFCD25976744
Molecular Formula C40H69N5O7
Molecular Weight 732.0052
SMILES [C@H]([C@H](C(N[C@@H]([C@@H](O)C1=CC=CC=C1)C)=O)C)(OC)[C@]2(N(C(C[C@H]([C@@H](N(C([C@@H](NC([C@H](C(C)C)N(C)C)=O)[C@@H](C)C)=O)C)[C@H](CC)C)OC)=O)CCC2)[H]
Synonyms
Auristatin E, 160800-57-7, SCHEMBL1687439, CHEMBL4082989, WOWDZACBATWTAU-FEFUEGSOSA-N, ZINC161888715, CS-3435, BP-23645, HY-15582, CID11498622, CID 11498622,

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    CERTIFICATE OF ANALYSIS
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited