methyl (2S)-2-[[(2S)-6-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-6-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-6-acetamido-2-(tert-butoxycarbonylamino)hexanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-6-acetamido-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-6-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-6-acetamido-2-(tert-butoxycarbonylamino)hexanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H35N3O6 MolecularWeight: 449.5405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O6/c1-16(27)24-14-10-9-13-18(26-22(30)32-23(2,3)4)20(28)25-19(21(29)31-5)15-17-11-7-6-8-12-17/h6-8,11-12,18-19H,9-10,13-15H2,1-5H3,(H,24,27)(H,25,28)(H,26,30)/t18-,19-/m0/s1