(2S)-2-[[(2S)-2-acetamido-3-(4-carbamimidoylphenyl)propanoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-(4-carbamimidoylphenyl)propanoyl]amino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-(4-carbamimidoylphenyl)propanoyl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[(2S)-2-acetamido-3-(4-carbamimidoylphenyl)-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-(4-carbamimidoylphenyl)propanoyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-(4-amidinophenyl)propanoyl]amino]-2-phenyl-acetic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)C(=N)N)C(=O)NC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)C(=N)N)C(=O)N[C@@H](C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H22N4O4/c1-12(25)23-16(11-13-7-9-15(10-8-13)18(21)22)19(26)24-17(20(27)28)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)/t16-,17-/m0/s1