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Fmoc-MMAF-OMe

CAT: 0607-BA2363-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2363-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
863971-38-4
Form
A solid
Molecular Formula
C55H77N5O10
Molecular Weight
968.23
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Fmoc-MMAF-OMe
CAS Number863971-38-4
PubChem CID118704820
IUPAC Namemethyl (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate
Molecular FormulaC55H77N5O10
Molecular Weight968.2
XLogP8.2
Topological Polar Surface Area173
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count25
Heavy Atom Count70
Formal Charge0
Complexity1700
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)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C55H77N5O10/c1-13-35(6)49(45(67-10)31-46(61)60-29-21-28-44(60)50(68-11)36(7)51(62)56-43(54(65)69-12)30-37-22-15-14-16-23-37)58(8)53(64)47(33(2)3)57-52(63)48(34(4)5)59(9)55(66)70-32-42-40-26-19-17-24-38(40)39-25-18-20-27-41(39)42/h14-20,22-27,33-36,42-45,47-50H,13,21,28-32H2,1-12H3,(H,56,62)(H,57,63)/t35-,36+,43-,44-,45+,47-,48-,49-,50+/m0/s1
InChIKey
MDJMZQUALDTONI-OVPIWJPHSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-MMAF-OMe
CAS: 863971-38-4
CID: 118704820
Formula: C55H77N5O10
MW: 968.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight968.2
XLogP38.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count25
Exact Mass967.56704367
Monoisotopic Mass967.56704367
Topological Polar Surface Area173 Ų
Heavy Atom Count70
Formal Charge0
Complexity1700
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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