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

Systemtic Name: methyl (2S)-2-azanyl-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hexanoate Openeye Name: methyl (2S)-2-amino-6-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]hexanoate CAS Name: (2S)-2-amino-6-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]hexanoate Traditional Name: (2S)-2-amino-6-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]hexanoic acid methyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5/c1-21(2,3)29-20(27)24-17(14-15-10-6-5-7-11-15)18(25)23-13-9-8-12-16(22)19(26)28-4/h5-7,10-11,16-17H,8-9,12-14,22H2,1-4H3,(H,23,25)(H,24,27)/t16-,17-/m0/s1