CAS 2577-40-4 L-Phenylalanyl-L-phenylalanine (HCID 6993090)

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Basic information

CAS: 2577-40-4
Standard SMILES: N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey: GKZIWHRNKRBEOH-HOTGVXAUSA-N
Molecular formula: C18H20N2O3
Average molar mass: 312.4 g/mol
Monoisotopic mass: 312.1473925

Names & identifiers

Preferred name: L-Phenylalanyl-L-phenylalanine
IUPAC: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
English name: H-Phe-Phe-OH
Molecular formula: C18H20N2O3
Molecular weight: 312.36

Names & synonyms

2577-40-4L-Phenylalanyl-L-phenylalaninePhe-Phe(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acidCHEBI:72723DTXSID8094863389TM36C65S(2S)-2-(((2S)-2-amino-3-phenylpropanoyl)amino)-3-phenylpropanoic acid(2S)-2-{[(2S)-2-amino-3-phenylpropanoyl]amino}-3-phenylpropanoic acidRefChem:1088253DTXCID601511266H-PHE-PHE-OH

Show more names

phenylalanylphenylalanineL-phenylalanine-L-phenylalanineL-Phenylalanyl-L-phenylalanine, Di-L-phenylalanineNSC 5761NSC-5761

MFCD00063154(S)-2-((S)-2-Amino-3-phenylpropanamido)-3-phenylpropanoic acidPhenylalanyl-phenylalanineCHEMBL55868Phe-Phe-OHL-Phe-L-Phe3-Phenyl-N-(3-phenyl-L-alanyl)-L-alanineDi-L-phenylalanine

Database identifiers

CAS: 2577-40-4
PubChem CID: 6993090
DTXSID: DTXSID80948633
ChEMBL

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 92.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 388

Experimental & physicochemical properties

Physical DescriptionSolid

Dissociation Constants · 2 items

3.2

7.18

Physicochemical properties

Melting point: 288 · 288-290℃
Boiling point: 582.8 · 582.8±50.0 °C(Predicted)
Density: 1.229 · 1.229±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C
solubility: 50 mg/ml · Soluble at 50mg/ml in 80% acetic acid
form: Powder
pka: 3.41 · 3.41±0.10(Predicted)
color: White to Off-white
Stability: Hygroscopic
InChI: 1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16-/m0/s1
InChIKey: GKZIWHRNKRBEOH-HOTGVXAUSA-N

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2924.29.7790
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesH-PHE-PHE-OH (cas# 2577-40-4) is used in the method and kit for assessing prognosis or risk of breast cancer using metabolic profiling.

Upstream & downstream products

Downstream products

Boc-Phe-Phe-OH

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

Related reactions

1 records

New reaction record

HRID 746201As reactantuspto-grants-1986_07

Compound notes

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