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Z-Val-Ala-OH

CAT: 0127-OR1035809-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1035809-01Size:1 g
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CAS Number
24787-89-1
Purity
98%
Smiles
C[C@@H](C(O)=O)NC([C@H](C(C)C)NC(OCC1=CC=CC=C1)=O)=O

Chemical Information

N-((Phenylmethoxy)carbonyl)-L-valyl-L-alanine
CAS Number24787-89-1
PubChem CID7020631
IUPAC Name(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
Molecular FormulaC16H22N2O5
Molecular Weight322.36
XLogP1.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity419
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C16H22N2O5/c1-10(2)13(14(19)17-11(3)15(20)21)18-16(22)23-9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,17,19)(H,18,22)(H,20,21)/t11-,13-/m0/s1
InChIKey
KDQLNJPBTLIYNW-AAEUAGOBSA-N
Chemical Structure
2D Structure
2D structure of N-((Phenylmethoxy)carbonyl)-L-valyl-L-alanine
CAS: 24787-89-1
CID: 7020631
Formula: C16H22N2O5
MW: 322.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.36
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass322.15287181
Monoisotopic Mass322.15287181
Topological Polar Surface Area105 Ų
Heavy Atom Count23
Formal Charge0
Complexity419
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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