methyl (E,4S)-4-[(2-iodanylphenyl)carbamoylamino]-8-(phenylmethoxycarbonylamino)oct-2-enoate

Systemtic Name: methyl (E,4S)-4-[(2-iodanylphenyl)carbamoylamino]-8-(phenylmethoxycarbonylamino)oct-2-enoate Openeye Name: methyl (E,4S)-8-(benzyloxycarbonylamino)-4-[(2-iodophenyl)carbamoylamino]oct-2-enoate CAS Name: (E,4S)-4-[[(2-iodoanilino)-oxomethyl]amino]-8-(phenylmethoxycarbonylamino)-2-octenoic acid methyl ester IUPAC Name: methyl (E,4S)-4-[(2-iodophenyl)carbamoylamino]-8-(phenylmethoxycarbonylamino)oct-2-enoate Traditional Name: (E,4S)-8-(benzyloxycarbonylamino)-4-[(2-iodophenyl)carbamoylamino]oct-2-enoic acid methyl ester Formula: C24H28IN3O5 MolecularWeight: 565.40069

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)NC2=CC=CC=C2I

Isomeric SMILES

COC(=O)/C=C/[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)NC2=CC=CC=C2I

InChI

InChI=1S/C24H28IN3O5/c1-32-22(29)15-14-19(27-23(30)28-21-13-6-5-12-20(21)25)11-7-8-16-26-24(31)33-17-18-9-3-2-4-10-18/h2-6,9-10,12-15,19H,7-8,11,16-17H2,1H3,(H,26,31)(H2,27,28,30)/b15-14+/t19-/m0/s1