N-[6-azanyl-1,1-bis(oxidanyl)hexan-2-yl]-2-(2-phenylethanoylamino)-4-sulfanyl-butanamide

Systemtic Name: N-[6-azanyl-1,1-bis(oxidanyl)hexan-2-yl]-2-(2-phenylethanoylamino)-4-sulfanyl-butanamide Openeye Name: N-[5-amino-1-(dihydroxymethyl)pentyl]-2-[(2-phenylacetyl)amino]-4-sulfanyl-butanamide CAS Name: N-(6-amino-1,1-dihydroxyhexan-2-yl)-4-mercapto-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: N-(6-amino-1,1-dihydroxyhexan-2-yl)-2-[(2-phenylacetyl)amino]-4-sulfanylbutanamide Traditional Name: N-[5-amino-1-(dihydroxymethyl)pentyl]-4-mercapto-2-[(2-phenylacetyl)amino]butyramide Formula: C18H29N3O4S MolecularWeight: 383.50556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S/c19-10-5-4-8-15(18(24)25)21-17(23)14(9-11-26)20-16(22)12-13-6-2-1-3-7-13/h1-3,6-7,14-15,18,24-26H,4-5,8-12,19H2,(H,20,22)(H,21,23)