[2-azanyl-2-(phenylsulfonylamino)propanoyl] 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-oxidanylidene-isoindole-5-carboxylate

Systemtic Name: [2-azanyl-2-(phenylsulfonylamino)propanoyl] 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-oxidanylidene-isoindole-5-carboxylate Openeye Name: [2-amino-2-(benzenesulfonamido)propanoyl] 1-[3-(tert-butoxycarbonylamino)propyl]-3-oxo-isoindole-5-carboxylate CAS Name: 1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-3-oxo-5-isoindolecarboxylic acid [2-amino-2-(benzenesulfonamido)-1-oxopropyl] ester IUPAC Name: [2-amino-2-(benzenesulfonamido)propanoyl] 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-oxoisoindole-5-carboxylate Traditional Name: 1-[3-(tert-butoxycarbonylamino)propyl]-3-keto-isoindole-5-carboxylic acid [2-amino-2-(benzenesulfonamido)propanoyl] ester Formula: C26H30N4O8S MolecularWeight: 558.6034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC1=NC(=O)C2=C1C=CC(=C2)C(=O)OC(=O)C(C)(N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC1=NC(=O)C2=C1C=CC(=C2)C(=O)OC(=O)C(C)(N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H30N4O8S/c1-25(2,3)38-24(34)28-14-8-11-20-18-13-12-16(15-19(18)21(31)29-20)22(32)37-23(33)26(4,27)30-39(35,36)17-9-6-5-7-10-17/h5-7,9-10,12-13,15,30H,8,11,14,27H2,1-4H3,(H,28,34)