[4-[[(2S)-2-azaniumyl-3-(4-phenylmethoxyphenyl)propyl]-oxidanyl-amino]-4-oxidanylidene-butyl]-[(2S)-1,6-bis(oxidanyl)-1,6-bis(oxidanylidene)hexan-2-yl]azanium dichloride

Systemtic Name: [4-[[(2S)-2-azaniumyl-3-(4-phenylmethoxyphenyl)propyl]-oxidanyl-amino]-4-oxidanylidene-butyl]-[(2S)-1,6-bis(oxidanyl)-1,6-bis(oxidanylidene)hexan-2-yl]azanium dichloride Openeye Name: [4-[[(2S)-2-azaniumyl-3-(4-benzyloxyphenyl)propyl]-hydroxy-amino]-4-oxo-butyl]-[(1S)-1-carboxy-5-hydroxy-5-oxo-pentyl]ammonium dichloride CAS Name: [4-[[(2S)-2-ammonio-3-(4-phenylmethoxyphenyl)propyl]-hydroxyamino]-4-oxobutyl]-[(2S)-1,6-dihydroxy-1,6-dioxohexan-2-yl]ammonium dichloride IUPAC Name: [4-[[(2S)-2-azaniumyl-3-(4-phenylmethoxyphenyl)propyl]-hydroxyamino]-4-oxobutyl]-[(2S)-1,6-dihydroxy-1,6-dioxohexan-2-yl]azanium dichloride Traditional Name: [4-[[(2S)-2-ammonio-3-(4-benzoxyphenyl)propyl]-hydroxy-amino]-4-keto-butyl]-[(1S)-1-carboxy-5-hydroxy-5-keto-pentyl]ammonium dichloride Formula: C26H37Cl2N3O7 MolecularWeight: 574.49388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(CN(C(=O)CCC[NH2+]C(CCCC(=O)O)C(=O)O)O)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H](CN(C(=O)CCC[NH2+][C@@H](CCCC(=O)O)C(=O)O)O)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C26H35N3O7.2ClH/c27-21(16-19-11-13-22(14-12-19)36-18-20-6-2-1-3-7-20)17-29(35)24(30)9-5-15-28-23(26(33)34)8-4-10-25(31)32;;/h1-3,6-7,11-14,21,23,28,35H,4-5,8-10,15-18,27H2,(H,31,32)(H,33,34);2*1H/t21-,23-;;/m0../s1