tert-butyl (2S)-2-[[(2S)-2-(2-cyanoethanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-(2-cyanoethanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-[(2-cyanoacetyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[(2-cyano-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[(2-cyanoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[(2-cyanoacetyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4/c1-25(2,3)32-24(31)21(17-19-12-8-5-9-13-19)28-23(30)20(27-22(29)14-15-26)16-18-10-6-4-7-11-18/h4-13,20-21H,14,16-17H2,1-3H3,(H,27,29)(H,28,30)/t20-,21-/m0/s1