AG00359W

745017-94-1 | Monomethylauristatin F

AG00359W

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	745017-94-1
Catalog Number	AG00359W(AGN-PC-0U5DZ0)
Chemical Name	Monomethylauristatin F
IUPAC Name	(2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid
InChI	InChI=1S/C39H65N5O8/c1-12-25(6)34(43(9)38(48)33(24(4)5)42-37(47)32(40-8)23(2)3)30(51-10)22-31(45)44-20-16-19-29(44)35(52-11)26(7)36(46)41-28(39(49)50)21-27-17-14-13-15-18-27/h13-15,17-18,23-26,28-30,32-35,40H,12,16,19-22H2,1-11H3,(H,41,46)(H,42,47)(H,49,50)/t25-,26+,28-,29-,30+,32-,33-,34-,35+/m0/s1
InChI Key	MFRNYXJJRJQHNW-DEMKXPNLSA-N
MDL Number	MFCD25976742
Molecular Formula	C39H65N5O8
Molecular Weight	731.9621
SMILES	CO[C@H]([C@H](C(=O)N[C@H](C(=O)O)CC1=CC=CC=C1)C)[C@H]1N(CCC1)C(C[C@H](C([C@H](CC)C)N(C([C@H](C(C)C)NC([C@H](C(C)C)NC)=O)=O)C)OC)=O
Synonyms	MMAF peptide, monomethyl auristatin F, monomethylauristatin F, MMAF, 745017-94-1, Monomethylauristatin F, Monomethyl Auristatin F, (2~{s})-2-[[(2~{r},3~{r})-3-Methoxy-3-[(2~{s})-1-[(3~{r},4~{s},5~{s})-3-Methoxy-5-Methyl-4-[methyl-[(2~{s})-3-Methyl-2-[[(2~{s})-3-Methyl-2-(Methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-Yl]-2-Methyl-Propanoyl]amino]-3-Phenyl-Propanoic Acid, SCHEMBL3208014, Mmaf (Monomethyl Auristatin F), CHEMBL3359822, EX-A1046, KS-00000S9C, MFCD25976742, ZINC167866935, CS-2515, BC600769, HY-15579, UNII-1Z1AI9IW5L component MFRNYXJJRJQHNW-DEMKXPNLSA-N, (2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid, (2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid, MFRNYXJJRJQHNW-DEMKXPNLSA-N, Monomethyl auristatin phenylalanine, CID10395173, CID 10395173, A13955,

Complexity	1160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	731.483g/mol
Formal Charge	0
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	731.976g/mol
Monoisotopic Mass	731.483g/mol
Rotatable Bond Count	21
Topological Polar Surface Area	167A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number