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Z-D-Phe-Val-OH

CAT: 0926-FP111507-01Size: 2000 mgDry Ice: NoHazardous: No
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CAT#:0926-FP111507-01Size:2000 mg
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CAS Number
15099-82-8
MDL Number
MFCD00056143
Smiles
CC (C) [C@@H] (C (=O) O) NC (=O) [C@@H] (CC1=CC=CC=C1) NC (=O) OCC2=CC=CC=C2
Molecular Formula
C22H26N2O5
Molecular Weight
398.45 g/mol
Controlled
No

Chemical Information

Z-D-Phe-Val-OH
CAS Number15099-82-8
PubChem CID6992352
IUPAC Name(2S)-3-methyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
Molecular FormulaC22H26N2O5
Molecular Weight398.5
XLogP2.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity539
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H26N2O5/c1-15(2)19(21(26)27)24-20(25)18(13-16-9-5-3-6-10-16)23-22(28)29-14-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)/t18-,19+/m1/s1
InChIKey
AJQYZRHQCXCROF-MOPGFXCFSA-N
Chemical Structure
2D Structure
2D structure of Z-D-Phe-Val-OH
CAS: 15099-82-8
CID: 6992352
Formula: C22H26N2O5
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass398.18417193
Monoisotopic Mass398.18417193
Topological Polar Surface Area105 Ų
Heavy Atom Count29
Formal Charge0
Complexity539
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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