methyl 8-[[(2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propyl]-oxidanyl-amino]-8-oxidanylidene-octanoate

Systemtic Name: methyl 8-[[(2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propyl]-oxidanyl-amino]-8-oxidanylidene-octanoate Openeye Name: methyl 8-[[(2S)-2-amino-3-(4-benzyloxyphenyl)propyl]-hydroxy-amino]-8-oxo-octanoate CAS Name: 8-[[(2S)-2-amino-3-(4-phenylmethoxyphenyl)propyl]-hydroxyamino]-8-oxooctanoic acid methyl ester IUPAC Name: methyl 8-[[(2S)-2-amino-3-(4-phenylmethoxyphenyl)propyl]-hydroxyamino]-8-oxooctanoate Traditional Name: 8-[[(2S)-2-amino-3-(4-benzoxyphenyl)propyl]-hydroxy-amino]-8-keto-caprylic acid methyl ester Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC(=O)N(CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N)O

Isomeric SMILES

COC(=O)CCCCCCC(=O)N(C[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)N)O

InChI

InChI=1S/C25H34N2O5/c1-31-25(29)12-8-3-2-7-11-24(28)27(30)18-22(26)17-20-13-15-23(16-14-20)32-19-21-9-5-4-6-10-21/h4-6,9-10,13-16,22,30H,2-3,7-8,11-12,17-19,26H2,1H3/t22-/m0/s1