(phenylmethyl) N-[(2R)-1-[(4-iodophenyl)amino]-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2R)-1-[(4-iodophenyl)amino]-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate Openeye Name: benzyl N-[(5R)-5-(benzyloxycarbonylamino)-6-(4-iodoanilino)-6-oxo-hexyl]carbamate CAS Name: N-[(2R)-1-(4-iodoanilino)-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-1-(4-iodoanilino)-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate Traditional Name: N-[(5R)-5-(benzyloxycarbonylamino)-6-(4-iodoanilino)-6-keto-hexyl]carbamic acid benzyl ester Formula: C28H30IN3O5 MolecularWeight: 615.45937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)NC2=CC=C(C=C2)I)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC[C@H](C(=O)NC2=CC=C(C=C2)I)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30IN3O5/c29-23-14-16-24(17-15-23)31-26(33)25(32-28(35)37-20-22-11-5-2-6-12-22)13-7-8-18-30-27(34)36-19-21-9-3-1-4-10-21/h1-6,9-12,14-17,25H,7-8,13,18-20H2,(H,30,34)(H,31,33)(H,32,35)/t25-/m1/s1