4-[[(2S)-2-[[oxidanyl(propyl)phosphoryl]amino]-3-phenyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[[(2S)-2-[[oxidanyl(propyl)phosphoryl]amino]-3-phenyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[[(2S)-2-[[hydroxy(propyl)phosphoryl]amino]-3-phenyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[(2S)-2-[[hydroxy(propyl)phosphoryl]amino]-1-oxo-3-phenylpropyl]amino]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[[(2S)-2-[[hydroxy(propyl)phosphoryl]amino]-3-phenylpropanoyl]amino]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[[(2S)-2-[[hydroxy(propyl)phosphoryl]amino]-3-phenyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid Formula: C17H22N3O5P MolecularWeight: 379.347441

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Descriptors Computed from Structure

Canonical SMILES:

CCCP(=O)(NC(CC1=CC=CC=C1)C(=O)NC2=CNC(=C2)C(=O)O)O

Isomeric SMILES

CCCP(=O)(N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CNC(=C2)C(=O)O)O

InChI

InChI=1S/C17H22N3O5P/c1-2-8-26(24,25)20-14(9-12-6-4-3-5-7-12)16(21)19-13-10-15(17(22)23)18-11-13/h3-7,10-11,14,18H,2,8-9H2,1H3,(H,19,21)(H,22,23)(H2,20,24,25)/t14-/m0/s1