sodium 1-[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonyl-3,3-diphenethyl-2-phosphoroso-pyrrolidine-2-carboxylate

Systemtic Name: sodium 1-[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonyl-3,3-diphenethyl-2-phosphoroso-pyrrolidine-2-carboxylate Openeye Name: sodium 1-[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]-3,3-diphenethyl-2-phosphoroso-pyrrolidine-2-carboxylate CAS Name: sodium 1-[[1-(2-amino-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]-3,3-diphenethyl-2-phosphoroso-2-pyrrolidinecarboxylate IUPAC Name: sodium 1-[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]-3,3-diphenethyl-2-phosphorosopyrrolidine-2-carboxylate Traditional Name: sodium 1-(1-alanylprolyl)-3,3-diphenethyl-2-phosphoroso-pyrrolidine-2-carboxylate Formula: C29H35N3NaO5P MolecularWeight: 559.568831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)N2CCC(C2(C(=O)[O-])P=O)(CCC3=CC=CC=C3)CCC4=CC=CC=C4)N.[Na+]

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)N2CCC(C2(C(=O)[O-])P=O)(CCC3=CC=CC=C3)CCC4=CC=CC=C4)N.[Na+]

InChI

InChI=1S/C29H36N3O5P.Na/c1-21(30)25(33)31-19-8-13-24(31)26(34)32-20-18-28(29(32,38-37)27(35)36,16-14-22-9-4-2-5-10-22)17-15-23-11-6-3-7-12-23;/h2-7,9-12,21,24H,8,13-20,30H2,1H3,(H,35,36);/q;+1/p-1