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Z-IETD-AFC

CAT: 0607-C8331-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C8331-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
219138-02-0
Form
A solid
Molecular Formula
C37H42F3N5O13
Molecular Weight
821.75
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C, protect from light.

Chemical Information

Z-Ietd-afc
CAS Number219138-02-0
PubChem CID71312079
IUPAC Name(4S)-5-[[(2S,3R)-1-[[(2S)-3-carboxy-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]propan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC37H42F3N5O13
Molecular Weight821.7
XLogP1.7
Topological Polar Surface Area276
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count20
Heavy Atom Count58
Formal Charge0
Complexity1550
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C37H42F3N5O13/c1-4-18(2)30(45-36(56)57-17-20-8-6-5-7-9-20)34(54)42-24(12-13-27(47)48)32(52)44-31(19(3)46)35(55)43-25(16-28(49)50)33(53)41-21-10-11-22-23(37(38,39)40)15-29(51)58-26(22)14-21/h5-11,14-15,18-19,24-25,30-31,46H,4,12-13,16-17H2,1-3H3,(H,41,53)(H,42,54)(H,43,55)(H,44,52)(H,45,56)(H,47,48)(H,49,50)/t18-,19+,24-,25-,30-,31-/m0/s1
InChIKey
RCIFCAJYIPUCJW-QXPVPWKFSA-N
Chemical Structure
2D Structure
2D structure of Z-Ietd-afc
CAS: 219138-02-0
CID: 71312079
Formula: C37H42F3N5O13
MW: 821.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight821.7
XLogP31.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count20
Exact Mass821.27312090
Monoisotopic Mass821.27312090
Topological Polar Surface Area276 Ų
Heavy Atom Count58
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T36333-01Z-IETD-AFC
A23148-50Z-IETD-AFC 50mg
A23148-25Z-IETD-AFC 25mg
A23148-10Z-IETD-AFC 10mg
A23148-1Z-IETD-AFC 1mg
A23148-500Z-IETD-AFC 500mg
A23148-100Z-IETD-AFC 100mg
A23148-5Z-IETD-AFC 5mg
HY-P1169-01Ac-IETD-AFC
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