(2S)-1-[(2S)-6-azanyl-2-[oxidanyl(3-phenylpropyl)phosphoryl]oxy-hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-6-azanyl-2-[oxidanyl(3-phenylpropyl)phosphoryl]oxy-hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-6-amino-2-[hydroxy(3-phenylpropyl)phosphoryl]oxy-hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-6-amino-2-[hydroxy(3-phenylpropyl)phosphoryl]oxy-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-6-amino-2-[hydroxy(3-phenylpropyl)phosphoryl]oxyhexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-6-amino-2-[hydroxy(3-phenylpropyl)phosphoryl]oxy-hexanoyl]proline Formula: C20H31N2O6P MolecularWeight: 426.443701

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)OP(=O)(CCCC2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCCN)OP(=O)(CCCC2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C20H31N2O6P/c21-13-5-4-12-18(19(23)22-14-6-11-17(22)20(24)25)28-29(26,27)15-7-10-16-8-2-1-3-9-16/h1-3,8-9,17-18H,4-7,10-15,21H2,(H,24,25)(H,26,27)/t17-,18-/m0/s1