tert-butyl (2S)-6-azanyl-2-[[4-[[(2S)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]carbamoyl]-1H-imidazol-5-yl]carbonylamino]hexanoate

Systemtic Name: tert-butyl (2S)-6-azanyl-2-[[4-[[(2S)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]carbamoyl]-1H-imidazol-5-yl]carbonylamino]hexanoate Openeye Name: tert-butyl (2S)-6-amino-2-[[4-[[(1S)-2-benzyloxy-1-methyl-2-oxo-ethyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[oxo-[4-[oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]methyl]-1H-imidazol-5-yl]methyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-6-amino-2-[[4-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[[4-[[(1S)-2-benzoxy-2-keto-1-methyl-ethyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]hexanoic acid tert-butyl ester Formula: C25H35N5O6 MolecularWeight: 501.5753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC(CCCCN)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H35N5O6/c1-16(23(33)35-14-17-10-6-5-7-11-17)29-21(31)19-20(28-15-27-19)22(32)30-18(12-8-9-13-26)24(34)36-25(2,3)4/h5-7,10-11,15-16,18H,8-9,12-14,26H2,1-4H3,(H,27,28)(H,29,31)(H,30,32)/t16-,18-/m0/s1