N-Benzyloxycarbonylphenylalanylalanine

HCID 152128

Basic information

CAS
16088-00-9
Standard SMILES
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O
InChIKey
LEJTXQOVOPDGHS-YOEHRIQHSA-N
Molecular formula
C20H22N2O5
Average molar mass
370.4 g/mol
Monoisotopic mass
370.1528718

Overview

RN given refers to (L-Ala-D-Phe)-isomer

Names & identifiers

Preferred name
N-Benzyloxycarbonylphenylalanylalanine
IUPAC
(2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
English name
N-benzyloxycarbonylphenylalanylalanine
Molecular formula
C20H22N2O5
Molecular weight
370.4

Names & synonyms

Z-Phe-alaN-Benzyloxycarbonylphenylalanylalanine16088-00-9DTXSID30167019RefChem:162989DTXCID5089510N-(alpha)-benzyloxycarbonyl-D-phenylalanyl-L-alanineZ-PHE-ALA-OH21881-18-5Cbz-Phe-Ala-OHN-Cbz-Phe-Ala-OH(S)-2-((S)-2-(((Benzyloxy)carbonyl)amino)-3-phenylpropanamido)propanoic acid
Show more names
L-Alanine, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl- (9CI)(S)-2-((R)-2-(((Benzyloxy)carbonyl)amino)-3-phenylpropanamido)propanoic acid
MFCD00037237CHEMBL430922L-Alanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-N-Benzyloxycarbonyl-L-Phenylalanyl-L-Alanine(2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid((Benzyloxy)carbonyl)-L-phenylalanyl-L-alanine(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]propanoic acidZ-L-PHENYLALANYL-L-ALANINE

Database identifiers

CAS
16088-00-9
PubChem CID
152128
DTXSID
DTXSID30167019
ChEMBL
CHEMBL430922
Nikkaji
J740.934F

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
105 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
27

Physicochemical properties

Boiling point
666.113 · 666.113±55.00 °C(Press: 760.00 Torr)(predicted)
Density
1.253 · 1.253±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
3.503 · 3.503±0.10(predicted)

Chemistry & industry

Suppliers1 total

Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]

Related reactions

7 records

Compound notes

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