(Z)-4-(bromomethyl)-2-formamido-8-(phenylmethoxycarbonylamino)oct-3-enoic acid

Systemtic Name: (Z)-4-(bromomethyl)-2-formamido-8-(phenylmethoxycarbonylamino)oct-3-enoic acid Openeye Name: (Z)-8-(benzyloxycarbonylamino)-4-(bromomethyl)-2-formamido-oct-3-enoic acid CAS Name: (Z)-4-(bromomethyl)-2-formamido-8-(phenylmethoxycarbonylamino)-3-octenoic acid IUPAC Name: (Z)-4-(bromomethyl)-2-formamido-8-(phenylmethoxycarbonylamino)oct-3-enoic acid Traditional Name: (Z)-8-(benzyloxycarbonylamino)-4-(bromomethyl)-2-formamido-oct-3-enoic acid Formula: C18H23BrN2O5 MolecularWeight: 427.28962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(=CC(C(=O)O)NC=O)CBr

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC/C(=C/C(C(=O)O)NC=O)/CBr

InChI

InChI=1S/C18H23BrN2O5/c19-11-15(10-16(17(23)24)21-13-22)8-4-5-9-20-18(25)26-12-14-6-2-1-3-7-14/h1-3,6-7,10,13,16H,4-5,8-9,11-12H2,(H,20,25)(H,21,22)(H,23,24)/b15-10-