McMMAF

CAT: 0127-BUP01765-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01765-03Size:10 mg

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CAS Number

863971-19-1

Synonyms

Maleimidocaproyl monomethylauristatin F

Purity

=98%

Smiles

[C@H]([C@H](C(N[C@@H](CC1=CC=CC=C1)C(O)=O)=O)C)(OC)[C@]2(N(C(C[C@H]([C@@H](N(C([C@@H](NC([C@@H](N(C(CCCCCN3C(=O)C=CC3=O)=O)C)[C@@H](C)C)=O)C(C)C)=O)C)[C@H](CC)C)OC)=O)CCC2)[H]

Chemical Information

Mafodotin

CAS Number	863971-19-1
PubChem CID	56949327
IUPAC Name	(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
Molecular Formula	C49H76N6O11
Molecular Weight	925.2
XLogP	4.6
Topological Polar Surface Area	212
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	27
Heavy Atom Count	66
Formal Charge	0
Complexity	1680

SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)C=CC3=O

InChI

InChI=1S/C49H76N6O11/c1-12-32(6)44(37(65-10)29-41(59)54-27-19-22-36(54)45(66-11)33(7)46(60)50-35(49(63)64)28-34-20-15-13-16-21-34)53(9)48(62)42(30(2)3)51-47(61)43(31(4)5)52(8)38(56)23-17-14-18-26-55-39(57)24-25-40(55)58/h13,15-16,20-21,24-25,30-33,35-37,42-45H,12,14,17-19,22-23,26-29H2,1-11H3,(H,50,60)(H,51,61)(H,63,64)/t32-,33+,35-,36-,37+,42-,43-,44-,45+/m0/s1

InChIKey

ORFNVPGICPYLJV-YTVPMEHESA-N

Chemical Structure

2D Structure

CAS: 863971-19-1

CID: 56949327

Formula: C49H76N6O11

MW: 925.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	925.2
XLogP3	4.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	27
Exact Mass	924.55720726
Monoisotopic Mass	924.55720726
Topological Polar Surface Area	212 Å²
Heavy Atom Count	66
Formal Charge	0
Complexity	1680
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
BA2627-25	McMMAF
HY-150233-01	Cys-McMMAF
A21277-100	McMMAF 100mg
HY-15578G	McMMAF (GMP)
A21277-50	McMMAF 50mg
A21277-10	McMMAF 10mg
A21277-1	McMMAF 1mg
A21277-25	McMMAF 25mg
A21277-5	McMMAF 5mg
HY-171682	Anti-CCL2 (Carlumab) -McMMAF

McMMAF

Chemical Information

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