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5-(Diaminomethylideneamino)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid

HCID 335258
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
50465-91-3
Standard SMILES
CC(NC(=O)OCc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)O
InChIKey
IAJCBRQYWHEYSN-UHFFFAOYSA-N
Molecular formula
C17H25N5O5
Average molar mass
379.4 g/mol
Monoisotopic mass
379.18556891

Names & identifiers

Preferred name
5-(Diaminomethylideneamino)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid
IUPAC
5-(diaminomethylideneamino)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid
English name
Z-ALA-ARG-OH
Molecular formula
C17H25N5O5
Molecular weight
379.41

Names & synonyms

Z-Ala-Arg-OH50465-91-35-(diaminomethylideneamino)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acidNSC343724SCHEMBL5576835DTXSID30319319((benzyloxy)carbonyl)alanylarginineNSC-343724FA111433DS-008844G85174N-[(Benzyloxy)carbonyl]alanyl-N~5~-(diaminomethylidene)ornithine
Show more names
CBZ-L-ALA-ARGZ-L-ALANYL-L-ARGININEL-Arginine, N-[(phenylmethoxy)carbonyl]-L-alanyl-2-(2-(((Benzyloxy)carbonyl)amino)propanamido)-5-((diaminomethylene)amino)pentanoic acid5-(diaminomethylideneamino)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoicacid
5-(Diaminomethylideneamino)-2-(2-phenylmethoxycarbonylaminopropanoylamino)pentanoic acid

Database identifiers

CAS
50465-91-3

Properties

Computed structural properties

XLogP
0
Topological polar surface area
169 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
27
Formal charge
0
Complexity
530

Physicochemical properties

Density
1.35 · 1.35±0.1 g/cm3(Predicted)
storage temp.
-15 °C · -15°C
pka
3.42 · 3.42±0.10(Predicted)

Chemistry & industry

Suppliers7 total

梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
杭州专肽生物技术有限公司17342063383 · [email protected]
成都云希化工有限公司+86-17380623303 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
吉尔生化(上海)有限公司21-61263452 13641803416 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
PubChem CID
335258
DTXSID
DTXSID30319319