Catalog Number:
AG009CLX
Chemical Name:
Acetylene-linker-Val-Cit-PABC-MMAE
CAS Number:
1411977-95-1
Molecular Formula:
C67H106N10O16
Molecular Weight:
1307.6159
MDL Number:
MFCD29924790
IUPAC Name:
[4-[[5-(carbamoylamino)-2-[[3-methyl-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[1-[[1-[2-[3-[(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/C67H106N10O16/c1-16-33-90-34-35-91-36-37-92-40-53(78)73-55(41(3)4)63(83)72-50(25-21-31-69-66(68)86)62(82)71-49-29-27-47(28-30-49)39-93-67(87)76(13)57(43(7)8)64(84)74-56(42(5)6)65(85)75(12)58(44(9)17-2)52(88-14)38-54(79)77-32-22-26-51(77)60(89-15)45(10)61(81)70-46(11)59(80)48-23-19-18-20-24-48/h1,18-20,23-24,27-30,41-46,50-52,55-60,80H,17,21-22,25-26,31-40H2,2-15H3,(H,70,81)(H,71,82)(H,72,83)(H,73,78)(H,74,84)(H3,68,69,86)
InChI Key:
HJNJEHBZUVWTEJ-UHFFFAOYSA-N
SMILES:
C#CCOCCOCCOCC(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)COC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C(=O)N[C@@H]([C@H](c1ccccc1)O)C)C)OC)OC)[C@H](CC)C)C)C(C)C)C(C)C)C)CCCNC(=O)N)C(C)C
