1-(2-azanylpropanoyl)-2-[oxidanyl(4-phenylbutyl)phosphoryl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-azanylpropanoyl)-2-[oxidanyl(4-phenylbutyl)phosphoryl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-aminopropanoyl)-2-[hydroxy(4-phenylbutyl)phosphoryl]pyrrolidine-2-carboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-2-[hydroxy(4-phenylbutyl)phosphoryl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-aminopropanoyl)-2-[hydroxy(4-phenylbutyl)phosphoryl]pyrrolidine-2-carboxylic acid Traditional Name: 1-alanyl-2-[hydroxy(4-phenylbutyl)phosphoryl]proline Formula: C18H27N2O5P MolecularWeight: 382.391141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1(C(=O)O)P(=O)(CCCCC2=CC=CC=C2)O)N

Isomeric SMILES

CC(C(=O)N1CCCC1(C(=O)O)P(=O)(CCCCC2=CC=CC=C2)O)N

InChI

InChI=1S/C18H27N2O5P/c1-14(19)16(21)20-12-7-11-18(20,17(22)23)26(24,25)13-6-5-10-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13,19H2,1H3,(H,22,23)(H,24,25)