methyl (2S)-6-azanyl-2-[[(2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]amino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[[(2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]amino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[[(2S)-2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[(2S)-1-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[[(2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[[(2S)-2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl]amino]hexanoic acid methyl ester Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O4/c1-22(2,3)30-21(28)26-18(14-16-10-6-5-7-11-16)19(15-24)25-17(20(27)29-4)12-8-9-13-23/h5-7,10-11,17-19,25H,8-9,12-14,23H2,1-4H3,(H,26,28)/t17-,18-,19?/m0/s1