(phenylmethyl) 4-[2-[4-[[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hept-6-en-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-[4-[[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hept-6-en-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-[4-[1-[2-(allylamino)-2-oxo-acetyl]pent-4-enylcarbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(tert-butoxycarbonylamino)-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-[[[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]amino]-oxomethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxoethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-[4-[[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-[1-[2-(allylamino)-2-keto-acetyl]pent-4-enylcarbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(tert-butoxycarbonylamino)-2-keto-ethyl]piperidine-1-carboxylic acid benzyl ester Formula: C38H53N5O8 MolecularWeight: 707.85612

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C3CCN(CC3)C(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)NC(CCC=C)C(=O)C(=O)NCC=C)C

Isomeric SMILES

CC1(C2C1C(N(C2)C(=O)C(C3CCN(CC3)C(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)NC(CCC=C)C(=O)C(=O)NCC=C)C

InChI

InChI=1S/C38H53N5O8/c1-8-10-16-27(31(44)33(46)39-19-9-2)40-32(45)30-28-26(38(28,6)7)22-43(30)34(47)29(41-35(48)51-37(3,4)5)25-17-20-42(21-18-25)36(49)50-23-24-14-12-11-13-15-24/h8-9,11-15,25-30H,1-2,10,16-23H2,3-7H3,(H,39,46)(H,40,45)(H,41,48)