(phenylmethyl) (2S)-1-[(2S)-3-methyl-2-[2-(2-oxidanylidene-4-phenyl-azetidin-1-yl)ethanoylamino]butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-3-methyl-2-[2-(2-oxidanylidene-4-phenyl-azetidin-1-yl)ethanoylamino]butanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-3-methyl-2-[[2-(2-oxo-4-phenyl-azetidin-1-yl)acetyl]amino]butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-3-methyl-1-oxo-2-[[1-oxo-2-(2-oxo-4-phenyl-1-azetidinyl)ethyl]amino]butyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-3-methyl-2-[[2-(2-oxo-4-phenylazetidin-1-yl)acetyl]amino]butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[2-(2-keto-4-phenyl-azetidin-1-yl)acetyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)NC(=O)CN3C(CC3=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OCC2=CC=CC=C2)NC(=O)CN3C(CC3=O)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O5/c1-19(2)26(29-24(32)17-31-23(16-25(31)33)21-12-7-4-8-13-21)27(34)30-15-9-14-22(30)28(35)36-18-20-10-5-3-6-11-20/h3-8,10-13,19,22-23,26H,9,14-18H2,1-2H3,(H,29,32)/t22-,23?,26-/m0/s1