(phenylmethyl) 3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepan-1-yl]propanoate

Systemtic Name: (phenylmethyl) 3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepan-1-yl]propanoate Openeye Name: benzyl 3-[(3S)-3-(tert-butoxycarbonylamino)-2-oxo-azepan-1-yl]propanoate CAS Name: 3-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-azepanyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]propanoate Traditional Name: 3-[(3S)-3-(tert-butoxycarbonylamino)-2-keto-azepan-1-yl]propionic acid benzyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCCN(C1=O)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5/c1-21(2,3)28-20(26)22-17-11-7-8-13-23(19(17)25)14-12-18(24)27-15-16-9-5-4-6-10-16/h4-6,9-10,17H,7-8,11-15H2,1-3H3,(H,22,26)/t17-/m0/s1