Cathestatin B; 4'-Deoxy

AlkaPlorer ID: AK291824

Synonym: Cathestatin A, PF 1126A

IUPAC Name: 3-[[1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Structure

SMILES: NCCCCN=C(O)C(CC1=CC=CC=C1)N=C(O)C1OC1C(=O)O

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InChI: InChI=1S/C17H23N3O5/c18-8-4-5-9-19-15(21)12(10-11-6-2-1-3-7-11)20-16(22)13-14(25-13)17(23)24/h1-3,6-7,12-14H,4-5,8-10,18H2,(H,19,21)(H,20,22)(H,23,24)

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InChIKey: ZERGYHMBBZCBJM-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 349.38700000000006

TPSA: 141.03

MolLogP: 1.1015999999999997

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information