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Mc-Val-Ala-PAB

CAT: 0607-BA2471-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2471-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1870916-87-2
Form
A solid
Molecular Formula
C25H34N4O6
Molecular Weight
486.56
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Mc-Val-Ala-PAB
CAS Number1870916-87-2
PubChem CID100029273
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
Molecular FormulaC25H34N4O6
Molecular Weight486.6
XLogP0.9
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity786
SMILES
C[C@@H](C(=O)NC1=CC=C(C=C1)CO)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN2C(=O)C=CC2=O
InChI
InChI=1S/C25H34N4O6/c1-16(2)23(28-20(31)7-5-4-6-14-29-21(32)12-13-22(29)33)25(35)26-17(3)24(34)27-19-10-8-18(15-30)9-11-19/h8-13,16-17,23,30H,4-7,14-15H2,1-3H3,(H,26,35)(H,27,34)(H,28,31)/t17-,23-/m0/s1
InChIKey
DAMSURYLURICHN-SBUREZEXSA-N
Chemical Structure
2D Structure
2D structure of Mc-Val-Ala-PAB
CAS: 1870916-87-2
CID: 100029273
Formula: C25H34N4O6
MW: 486.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.6
XLogP30.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass486.24783482
Monoisotopic Mass486.24783482
Topological Polar Surface Area145 Ų
Heavy Atom Count35
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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