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MMAF-OMe

CAT: 0607-BA2334-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2334-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
863971-12-4
Form
A solid
Molecular Formula
C40H67N5O8
Molecular Weight
745.99
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

MMAF-OMe
CAS Number863971-12-4
PubChem CID57587881
IUPAC Namemethyl (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-phenylpropanoate
Molecular FormulaC40H67N5O8
Molecular Weight746.0
XLogP4.7
Topological Polar Surface Area156
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count53
Formal Charge0
Complexity1180
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)OC)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC
InChI
InChI=1S/C40H67N5O8/c1-13-26(6)35(44(9)39(49)34(25(4)5)43-38(48)33(41-8)24(2)3)31(51-10)23-32(46)45-21-17-20-30(45)36(52-11)27(7)37(47)42-29(40(50)53-12)22-28-18-15-14-16-19-28/h14-16,18-19,24-27,29-31,33-36,41H,13,17,20-23H2,1-12H3,(H,42,47)(H,43,48)/t26-,27+,29-,30-,31+,33-,34-,35-,36+/m0/s1
InChIKey
WRVLBJXFSHALRZ-FUVGGWJZSA-N
Chemical Structure
2D Structure
2D structure of MMAF-OMe
CAS: 863971-12-4
CID: 57587881
Formula: C40H67N5O8
MW: 746.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight746.0
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass745.49896411
Monoisotopic Mass745.49896411
Topological Polar Surface Area156 Ų
Heavy Atom Count53
Formal Charge0
Complexity1180
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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