(2S)-2-[(4-azanyl-1-phosphono-butyl)amino]-3-dibenzofuran-3-yl-propanoic acid

Systemtic Name: (2S)-2-[(4-azanyl-1-phosphono-butyl)amino]-3-dibenzofuran-3-yl-propanoic acid Openeye Name: (2S)-2-[(4-amino-1-phosphono-butyl)amino]-3-dibenzofuran-3-yl-propanoic acid CAS Name: (2S)-2-[(4-amino-1-phosphonobutyl)amino]-3-(3-dibenzofuranyl)propanoic acid IUPAC Name: (2S)-2-[(4-amino-1-phosphonobutyl)amino]-3-dibenzofuran-3-ylpropanoic acid Traditional Name: (2S)-2-[(4-amino-1-phosphono-butyl)amino]-3-dibenzofuran-3-yl-propionic acid Formula: C19H23N2O6P MolecularWeight: 406.369481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)CC(C(=O)O)NC(CCCN)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C[C@@H](C(=O)O)NC(CCCN)P(=O)(O)O

InChI

InChI=1S/C19H23N2O6P/c20-9-3-6-18(28(24,25)26)21-15(19(22)23)10-12-7-8-14-13-4-1-2-5-16(13)27-17(14)11-12/h1-2,4-5,7-8,11,15,18,21H,3,6,9-10,20H2,(H,22,23)(H2,24,25,26)/t15-,18?/m0/s1