Arginylthreonine; (2S,2'S,3'R)-form, N2-(2,3-Dihydroxybenzoyl) 

AlkaPlorer ID: AK289237

Synonym: Benarthin

IUPAC Name: 2-[[5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxybutanoic acid

Structure

SMILES: CC(O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC(O)=C1O)C(=O)O

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InChI: InChI=1S/C17H25N5O7/c1-8(23)12(16(28)29)22-15(27)10(5-3-7-20-17(18)19)21-14(26)9-4-2-6-11(24)13(9)25/h2,4,6,8,10,12,23-25H,3,5,7H2,1H3,(H,21,26)(H,22,27)(H,28,29)(H4,18,19,20)

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InChIKey: RYFDAFYFFUVLNW-UHFFFAOYSA-N

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Reference

PubChem CID: 10047227

CAS: 143651-45-0

COCONUT: CNP0163662.3

Properties Information

Molecule Weight: 411.4150000000001

TPSA: 220.58999999999995

MolLogP: -1.7999999999999967

Number of H-Donors: 8

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information