(1S,2S,3S)-2-(2-azanyl-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-3-phenethyl-cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S,3S)-2-(2-azanyl-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-3-phenethyl-cyclopropane-1-carboxylic acid Openeye Name: (1S,2S,3S)-2-(1-amino-1-carboxy-3-phenyl-propyl)-3-phenethyl-cyclopropanecarboxylic acid CAS Name: (1S,2S,3S)-2-(2-amino-1-hydroxy-1-oxo-4-phenylbutan-2-yl)-3-phenethyl-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S,3S)-2-(2-amino-1-hydroxy-1-oxo-4-phenylbutan-2-yl)-3-phenethylcyclopropane-1-carboxylic acid Traditional Name: (1S,2S,3S)-2-(1-amino-1-carboxy-3-phenyl-propyl)-3-phenethyl-cyclopropanecarboxylic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2C(C2C(CCC3=CC=CC=C3)(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H]2[C@@H]([C@H]2C(CCC3=CC=CC=C3)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C22H25NO4/c23-22(21(26)27,14-13-16-9-5-2-6-10-16)19-17(18(19)20(24)25)12-11-15-7-3-1-4-8-15/h1-10,17-19H,11-14,23H2,(H,24,25)(H,26,27)/t17-,18+,19+,22?/m1/s1