(phenylmethyl) (2S)-2-[[(2S)-1-[(2S)-3-methyl-2-[2-(2-oxidanylidene-4-phenyl-azetidin-1-yl)ethanoylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-1-[(2S)-3-methyl-2-[2-(2-oxidanylidene-4-phenyl-azetidin-1-yl)ethanoylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]propanoate Openeye Name: benzyl (2S)-2-[[(2S)-1-[(2S)-3-methyl-2-[[2-(2-oxo-4-phenyl-azetidin-1-yl)acetyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[(2S)-1-[(2S)-3-methyl-1-oxo-2-[[1-oxo-2-(2-oxo-4-phenyl-1-azetidinyl)ethyl]amino]butyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-1-[(2S)-3-methyl-2-[[2-(2-oxo-4-phenylazetidin-1-yl)acetyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2-[[2-(2-keto-4-phenyl-azetidin-1-yl)acetyl]amino]-3-methyl-butanoyl]prolyl]amino]propionic acid benzyl ester Formula: C31H38N4O6 MolecularWeight: 562.65662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)CN3C(CC3=O)C4=CC=CC=C4

InChI

InChI=1S/C31H38N4O6/c1-20(2)28(33-26(36)18-35-25(17-27(35)37)23-13-8-5-9-14-23)30(39)34-16-10-15-24(34)29(38)32-21(3)31(40)41-19-22-11-6-4-7-12-22/h4-9,11-14,20-21,24-25,28H,10,15-19H2,1-3H3,(H,32,38)(H,33,36)/t21-,24-,25?,28-/m0/s1