3-[2-[[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethanoyl]amino]propanoylamino]-4-phosphanyloxy-hexanoic acid

Systemtic Name: 3-[2-[[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethanoyl]amino]propanoylamino]-4-phosphanyloxy-hexanoic acid Openeye Name: 3-[2-[[2-(2-tert-butylanilino)-2-oxo-acetyl]amino]propanoylamino]-4-phosphanyloxy-hexanoic acid CAS Name: 3-[[2-[[2-(2-tert-butylanilino)-1,2-dioxoethyl]amino]-1-oxopropyl]amino]-4-phosphinooxyhexanoic acid IUPAC Name: 3-[2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoylamino]-4-phosphanyloxyhexanoic acid Traditional Name: 3-[2-[[2-(2-tert-butylanilino)-2-keto-acetyl]amino]propanoylamino]-4-phosphinooxy-hexanoic acid Formula: C21H32N3O6P MolecularWeight: 453.469041

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)O)NC(=O)C(C)NC(=O)C(=O)NC1=CC=CC=C1C(C)(C)C)OP

Isomeric SMILES

CCC(C(CC(=O)O)NC(=O)C(C)NC(=O)C(=O)NC1=CC=CC=C1C(C)(C)C)OP

InChI

InChI=1S/C21H32N3O6P/c1-6-16(30-31)15(11-17(25)26)24-18(27)12(2)22-19(28)20(29)23-14-10-8-7-9-13(14)21(3,4)5/h7-10,12,15-16H,6,11,31H2,1-5H3,(H,22,28)(H,23,29)(H,24,27)(H,25,26)