(2S)-1-[2-[[(3S)-3-azanyl-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-[[(3S)-3-azanyl-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[[(2S)-2-amino-1-carboxy-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[[(3S)-3-amino-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-[[(3S)-3-amino-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[[(2S)-2-amino-1-carboxy-3-phenyl-propyl]amino]propanoyl]proline Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(C(CC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCC[C@H]1C(=O)O)NC([C@H](CC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C18H25N3O5/c1-11(16(22)21-9-5-8-14(21)17(23)24)20-15(18(25)26)13(19)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-15,20H,5,8-10,19H2,1H3,(H,23,24)(H,25,26)/t11?,13-,14-,15?/m0/s1