(2S)-3-(4-carbamimidoylphenyl)-2-(prop-2-enoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(4-carbamimidoylphenyl)-2-(prop-2-enoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(allyloxycarbonylamino)-3-(4-carbamimidoylphenyl)propanoic acid CAS Name: (2S)-3-(4-carbamimidoylphenyl)-2-[[oxo(prop-2-enoxy)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-carbamimidoylphenyl)-2-(prop-2-enoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(allyloxycarbonylamino)-3-(4-amidinophenyl)propionic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC(CC1=CC=C(C=C1)C(=N)N)C(=O)O

Isomeric SMILES

C=CCOC(=O)N[C@@H](CC1=CC=C(C=C1)C(=N)N)C(=O)O

InChI

InChI=1S/C14H17N3O4/c1-2-7-21-14(20)17-11(13(18)19)8-9-3-5-10(6-4-9)12(15)16/h2-6,11H,1,7-8H2,(H3,15,16)(H,17,20)(H,18,19)/t11-/m0/s1