diethyl (2S)-2-[3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]propanoylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]propanoylamino]pentanedioate Openeye Name: diethyl (2S)-2-[3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]propanoylamino]pentanedioate CAS Name: (2S)-2-[[3-[4-[(4-carbamimidoylphenoxy)-oxomethyl]phenyl]-1-oxopropyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]propanoylamino]pentanedioate Traditional Name: (2S)-2-[3-[4-(4-amidinophenoxy)carbonylphenyl]propanoylamino]glutaric acid diethyl ester Formula: C26H31N3O7 MolecularWeight: 497.54024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)CCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)CCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C26H31N3O7/c1-3-34-23(31)16-14-21(26(33)35-4-2)29-22(30)15-7-17-5-8-19(9-6-17)25(32)36-20-12-10-18(11-13-20)24(27)28/h5-6,8-13,21H,3-4,7,14-16H2,1-2H3,(H3,27,28)(H,29,30)/t21-/m0/s1