(2R)-7-azanyl-7-azanylidene-2-[(1S,2S)-6-(4-hydroxyphenyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]heptanoate

Systemtic Name: (2R)-7-azanyl-7-azanylidene-2-[(1S,2S)-6-(4-hydroxyphenyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]heptanoate Openeye Name: (2R)-7-amino-2-[(1S,2S)-2-hydroxy-6-(4-hydroxyphenyl)indan-1-yl]-7-imino-heptanoate CAS Name: (2R)-7-amino-2-[(1S,2S)-2-hydroxy-6-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoate IUPAC Name: (2R)-7-amino-2-[(1S,2S)-2-hydroxy-6-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoate Traditional Name: (2R)-7-amino-2-[(1S,2S)-2-hydroxy-6-(4-hydroxyphenyl)indan-1-yl]-7-imino-enanthate Formula: C22H25N2O4- MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C1C=CC(=C2)C3=CC=C(C=C3)O)C(CCCCC(=N)N)C(=O)[O-])O

Isomeric SMILES

C1[C@@H]([C@H](C2=C1C=CC(=C2)C3=CC=C(C=C3)O)[C@@H](CCCCC(=N)N)C(=O)[O-])O

InChI

InChI=1S/C22H26N2O4/c23-20(24)4-2-1-3-17(22(27)28)21-18-11-14(5-6-15(18)12-19(21)26)13-7-9-16(25)10-8-13/h5-11,17,19,21,25-26H,1-4,12H2,(H3,23,24)(H,27,28)/p-1/t17-,19+,21+/m1/s1