tert-butyl (2S)-2-[[1-(2-methoxy-2-oxidanylidene-ethanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[1-(2-methoxy-2-oxidanylidene-ethanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[1-(2-methoxy-2-oxo-acetyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-(2-methoxy-1,2-dioxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(1-methoxalylprolyl)amino]-3-phenyl-propionic acid tert-butyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(=O)OC

InChI

InChI=1S/C21H28N2O6/c1-21(2,3)29-19(26)15(13-14-9-6-5-7-10-14)22-17(24)16-11-8-12-23(16)18(25)20(27)28-4/h5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,22,24)/t15-,16?/m0/s1