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Details

Stereochemistry ABSOLUTE
Molecular Formula C66H109N11O16
Molecular Weight 1312.6358
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NH2-PEG3-VC-PAB-MMAE

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](C)[C@@H](O)C2=CC=CC=C2)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)COCCOCCOCCN)C(C)C)C=C3)C(C)C

InChI

InChIKey=SYPOIZZFJAQIGW-ZJJSQSBRSA-N
InChI=1S/C66H109N11O16/c1-15-43(8)57(51(88-13)37-53(79)77-31-20-24-50(77)59(89-14)44(9)60(81)70-45(10)58(80)47-21-17-16-18-22-47)75(11)64(85)55(41(4)5)74-63(84)56(42(6)7)76(12)66(87)93-38-46-25-27-48(28-26-46)71-61(82)49(23-19-30-69-65(68)86)72-62(83)54(40(2)3)73-52(78)39-92-36-35-91-34-33-90-32-29-67/h16-18,21-22,25-28,40-45,49-51,54-59,80H,15,19-20,23-24,29-39,67H2,1-14H3,(H,70,81)(H,71,82)(H,72,83)(H,73,78)(H,74,84)(H3,68,69,86)/t43-,44+,45+,49-,50-,51+,54-,55-,56-,57-,58+,59+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
L-Valinamide, N-[[[4-[[N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-met
Preferred Name English
NH2-PEG3-VC-PAB-MMAE
Common Name English
N-[[[4-[[N-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]acetyl]-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-N-methyl-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-oxopropy
Systematic Name English
Code System Code Type Description
CAS
2641442-97-7
Created by admin on Wed Apr 02 21:17:53 GMT 2025 , Edited by admin on Wed Apr 02 21:17:53 GMT 2025
PRIMARY
FDA UNII
K6K3SB5MLS
Created by admin on Wed Apr 02 21:17:53 GMT 2025 , Edited by admin on Wed Apr 02 21:17:53 GMT 2025
PRIMARY