AG00ECGI

644981-35-1 | Val-Cit-PAB-MMAE

Chemical structure of Val-Cit-PAB-MMAE, CAS 644981-35-1
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CAS Number 644981-35-1
Catalog Number AG00ECGI(AGN-PC-0TCR27)
Chemical Name Val-Cit-PAB-MMAE
IUPAC Name [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(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]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
InChI InChI=1S/C58H94N10O12/c1-15-36(8)49(44(78-13)31-45(69)68-30-20-24-43(68)51(79-14)37(9)52(71)62-38(10)50(70)40-21-17-16-18-22-40)66(11)56(75)47(34(4)5)65-55(74)48(35(6)7)67(12)58(77)80-32-39-25-27-41(28-26-39)63-53(72)42(23-19-29-61-57(60)76)64-54(73)46(59)33(2)3/h16-18,21-22,25-28,33-38,42-44,46-51,70H,15,19-20,23-24,29-32,59H2,1-14H3,(H,62,71)(H,63,72)(H,64,73)(H,65,74)(H3,60,61,76)/t36-,37+,38+,42-,43-,44+,46-,47-,48-,49-,50+,51+/m0/s1
InChI Key WZEAGSMYTVSXQA-XZZQEHRXSA-N
MDL Number MFCD30377205
Molecular Formula C58H94N10O12
Molecular Weight 1123.4268
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](N(C(OCC3=CC=C(NC([C@@H](NC([C@H](C(C)C)N)=O)CCCNC(N)=O)=O)C=C3)=O)C)[C@@H](C)C)=O)C(C)C)=O)C)[C@H](CC)C)OC)=O)CCC2)[H]
Synonyms
Val-Cit-PAB-MMAE, 644981-35-1, SCHEMBL12435366, CS-5780, HY-100374, (2R,3R)-N-[(alphaR,betaS)-alpha-Methyl-beta-hydroxyphenethyl]-2-methyl-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-4-[methyl[N-[[4-[(Val-Cit-)amino]benzyloxy]carbonyl]-N-methyl-Val-Val-]amino]-5-methylheptanoyl]pyrrolidine-2-yl]-3-methoxypropionamide,

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