tert-butyl (3S)-4-azanyl-4-oxidanylidene-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate

Systemtic Name: tert-butyl (3S)-4-azanyl-4-oxidanylidene-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Openeye Name: tert-butyl (3S)-4-amino-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-oxo-butanoate CAS Name: (3S)-4-amino-4-oxo-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-amino-4-oxo-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Traditional Name: (3S)-4-amino-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-butyric acid tert-butyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O6/c1-25(2,3)34-21(29)15-19(22(26)30)27-23(31)20(14-17-10-6-4-7-11-17)28-24(32)33-16-18-12-8-5-9-13-18/h4-13,19-20H,14-16H2,1-3H3,(H2,26,30)(H,27,31)(H,28,32)/t19-,20-/m0/s1