(2S)-1-[(2S)-6-azanyl-2-[oxidanyl(phenethyl)phosphoryl]oxy-hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-6-azanyl-2-[oxidanyl(phenethyl)phosphoryl]oxy-hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-6-amino-2-[hydroxy(phenethyl)phosphoryl]oxy-hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-6-amino-2-[hydroxy(phenethyl)phosphoryl]oxy-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-6-amino-2-[hydroxy(phenethyl)phosphoryl]oxyhexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-6-amino-2-[hydroxy(phenethyl)phosphoryl]oxy-hexanoyl]proline Formula: C19H29N2O6P MolecularWeight: 412.417121

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)OP(=O)(CCC2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCCN)OP(=O)(CCC2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C19H29N2O6P/c20-12-5-4-10-17(18(22)21-13-6-9-16(21)19(23)24)27-28(25,26)14-11-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14,20H2,(H,23,24)(H,25,26)/t16-,17-/m0/s1