methyl (2S)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azocan-1-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azocan-1-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(3S)-3-(tert-butoxycarbonylamino)-2-oxo-azocan-1-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-azocanyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazocan-1-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(3S)-3-(tert-butoxycarbonylamino)-2-keto-azocan-1-yl]-3-phenyl-propionic acid methyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCCN(C1=O)C(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCCCN(C1=O)[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H32N2O5/c1-22(2,3)29-21(27)23-17-13-9-6-10-14-24(19(17)25)18(20(26)28-4)15-16-11-7-5-8-12-16/h5,7-8,11-12,17-18H,6,9-10,13-15H2,1-4H3,(H,23,27)/t17-,18-/m0/s1