tert-butyl (2S)-2-[[1-[(S)-cyano-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[1-[(S)-cyano-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[1-[(S)-(tert-butoxycarbonylamino)-cyano-methyl]cyclopropanecarbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-[(S)-cyano-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]cyclopropyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[1-[(S)-cyano-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropanecarbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-[(S)-(tert-butoxycarbonylamino)-cyano-methyl]cyclopropanecarbonyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C24H33N3O5 MolecularWeight: 443.53592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CC2)C(C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2(CC2)[C@@H](C#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H33N3O5/c1-22(2,3)31-19(28)17(14-16-10-8-7-9-11-16)26-20(29)24(12-13-24)18(15-25)27-21(30)32-23(4,5)6/h7-11,17-18H,12-14H2,1-6H3,(H,26,29)(H,27,30)/t17-,18+/m0/s1