[8-azanyl-4-carboxy-2-methyl-3-(4-phenylbutanoylamino)octan-4-yl]oxy-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [8-azanyl-4-carboxy-2-methyl-3-(4-phenylbutanoylamino)octan-4-yl]oxy-oxidanyl-oxidanylidene-phosphanium Openeye Name: [5-amino-1-carboxy-1-[2-methyl-1-(4-phenylbutanoylamino)propyl]pentoxy]-hydroxy-oxo-phosphonium CAS Name: [8-amino-4-carboxy-2-methyl-3-[(1-oxo-4-phenylbutyl)amino]octan-4-yl]oxy-hydroxy-oxophosphonium IUPAC Name: [8-amino-4-carboxy-2-methyl-3-(4-phenylbutanoylamino)octan-4-yl]oxy-hydroxy-oxophosphanium Traditional Name: [5-amino-1-carboxy-1-[2-methyl-1-(4-phenylbutanoylamino)propyl]pentoxy]-hydroxy-keto-phosphonium Formula: C20H32N2O6P+ MolecularWeight: 427.451641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(CCCCN)(C(=O)O)O[P+](=O)O)NC(=O)CCCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(CCCCN)(C(=O)O)O[P+](=O)O)NC(=O)CCCC1=CC=CC=C1

InChI

InChI=1S/C20H31N2O6P/c1-15(2)18(20(19(24)25,28-29(26)27)13-6-7-14-21)22-17(23)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15,18H,6-8,11-14,21H2,1-2H3,(H2-,22,23,24,25,26,27)/p+1