tert-butyl (8S)-12-[(2-methylpropan-2-yl)oxy]-6,9-bis(oxidanylidene)-8-(phenylmethyl)-10-oxa-3,7-diazabicyclo[9.4.0]pentadeca-1(11),12,14-triene-3-carboxylate

Systemtic Name: tert-butyl (8S)-12-[(2-methylpropan-2-yl)oxy]-6,9-bis(oxidanylidene)-8-(phenylmethyl)-10-oxa-3,7-diazabicyclo[9.4.0]pentadeca-1(11),12,14-triene-3-carboxylate Openeye Name: tert-butyl (8S)-8-benzyl-12-tert-butoxy-6,9-dioxo-10-oxa-3,7-diazabicyclo[9.4.0]pentadeca-1(11),12,14-triene-3-carboxylate CAS Name: (8S)-12-[(2-methylpropan-2-yl)oxy]-6,9-dioxo-8-(phenylmethyl)-10-oxa-3,7-diazabicyclo[9.4.0]pentadeca-1(11),12,14-triene-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (8S)-8-benzyl-12-[(2-methylpropan-2-yl)oxy]-6,9-dioxo-10-oxa-3,7-diazabicyclo[9.4.0]pentadeca-1(11),12,14-triene-3-carboxylate Traditional Name: (8S)-8-benzyl-12-tert-butoxy-6,9-diketo-10-oxa-3,7-diazabicyclo[9.4.0]pentadeca-1(11),12,14-triene-3-carboxylic acid tert-butyl ester Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=CC2=C1OC(=O)C(NC(=O)CCN(C2)C(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC1=CC=CC2=C1OC(=O)[C@@H](NC(=O)CCN(C2)C(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C28H36N2O6/c1-27(2,3)35-22-14-10-13-20-18-30(26(33)36-28(4,5)6)16-15-23(31)29-21(25(32)34-24(20)22)17-19-11-8-7-9-12-19/h7-14,21H,15-18H2,1-6H3,(H,29,31)/t21-/m0/s1