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N-alpha-benzoyl-(delta-(7-nitrobenz-2-oxa-1,3-diazol-4-yl))ornithinyl-alanyl-tryptophyl-phenylalanyl-prolyl-prolyl-norleucinamide

HCID 190884
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
157610-44-1
Standard SMILES
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O
InChIKey
HYKCXAOAAIQPOE-AWSLGLKCSA-N
Molecular formula
C57H67N13O11
Average molar mass
1,110.22 g/mol

Names & identifiers

Preferred name
N-alpha-benzoyl-(delta-(7-nitrobenz-2-oxa-1,3-diazol-4-yl))ornithinyl-alanyl-tryptophyl-phenylalanyl-prolyl-prolyl-norleucinamide
English name
N-alpha-benzoyl-(delta-(7-nitrobenz-2-oxa-1,3-diazol-4-yl))ornithinyl-alanyl-tryptophyl-phenylalanyl-prolyl-prolyl-norleucinamide
Molecular formula
C57H67N13O11
Molecular weight
1110.22

Names & synonyms

N-alpha-benzoyl-(delta-(7-nitrobenz-2-oxa-1,3-diazol-4-yl))ornithinyl-alanyl-tryptophyl-phenylalanyl-prolyl-prolyl-norleucinamideL-Norleucinamide, N2-benzoyl-N5-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-ornithyl-L-alanyl-D-tryptophyl-L-phenylalanyl-D-prolyl-L-prolyl- (9CI)

Database identifiers

CAS
157610-44-1
PubChem CID
190884
ChEMBL
CHEMBL3360197
Nikkaji
J598.790C

Properties

Physicochemical properties

Density
1.359 · 1.359±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
13.196 · 13.196±0.46(predicted)

Related reactions

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Compound notes

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