methyl (2S)-2-[[(1S,2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(1S,2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(1S,2S)-2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(1S,2S)-1-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1S,2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(1S,2S)-2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl]amino]-4-methyl-valeric acid methyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4/c1-15(2)12-18(20(26)28-6)24-19(14-23)17(13-16-10-8-7-9-11-16)25-21(27)29-22(3,4)5/h7-11,15,17-19,24H,12-13H2,1-6H3,(H,25,27)/t17-,18-,19+/m0/s1