2-azanyl-5-(1H-imidazol-2-yl)-3-(methylsulfanylmethyl)-2-(2-phenylphenyl)carbonyl-pent-4-ynoic acid

Systemtic Name: 2-azanyl-5-(1H-imidazol-2-yl)-3-(methylsulfanylmethyl)-2-(2-phenylphenyl)carbonyl-pent-4-ynoic acid Openeye Name: 2-amino-5-(1H-imidazol-2-yl)-3-(methylsulfanylmethyl)-2-(2-phenylbenzoyl)pent-4-ynoic acid CAS Name: 2-amino-5-(1H-imidazol-2-yl)-3-[(methylthio)methyl]-2-[oxo-(2-phenylphenyl)methyl]-4-pentynoic acid IUPAC Name: 2-amino-5-(1H-imidazol-2-yl)-3-(methylsulfanylmethyl)-2-(2-phenylbenzoyl)pent-4-ynoic acid Traditional Name: 2-amino-5-(1H-imidazol-2-yl)-3-[(methylthio)methyl]-2-(2-phenylbenzoyl)pent-4-ynoic acid Formula: C23H21N3O3S MolecularWeight: 419.49614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(C#CC1=NC=CN1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCC(C#CC1=NC=CN1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C23H21N3O3S/c1-30-15-17(11-12-20-25-13-14-26-20)23(24,22(28)29)21(27)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-10,13-14,17H,15,24H2,1H3,(H,25,26)(H,28,29)