6-azanyl-2-[[2-(2-phenoxyethanoylamino)-4-sulfanyl-butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-(2-phenoxyethanoylamino)-4-sulfanyl-butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[(2-phenoxyacetyl)amino]-4-sulfanyl-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[4-mercapto-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[(2-phenoxyacetyl)amino]-4-sulfanylbutanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[4-mercapto-2-[(2-phenoxyacetyl)amino]butanoyl]amino]hexanoic acid Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(CCS)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(CCS)C(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C18H27N3O5S/c19-10-5-4-8-15(18(24)25)21-17(23)14(9-11-27)20-16(22)12-26-13-6-2-1-3-7-13/h1-3,6-7,14-15,27H,4-5,8-12,19H2,(H,20,22)(H,21,23)(H,24,25)