2-[3-[[(2S)-2-azanyl-2-phenyl-ethanoyl]-phenylmethoxycarbonyl-amino]-2-oxidanylidene-azetidin-1-yl]-2-thiophen-2-yl-ethanoic acid

Systemtic Name: 2-[3-[[(2S)-2-azanyl-2-phenyl-ethanoyl]-phenylmethoxycarbonyl-amino]-2-oxidanylidene-azetidin-1-yl]-2-thiophen-2-yl-ethanoic acid Openeye Name: 2-[3-[[(2S)-2-amino-2-phenyl-acetyl]-benzyloxycarbonyl-amino]-2-oxo-azetidin-1-yl]-2-(2-thienyl)acetic acid CAS Name: 2-[3-[[(2S)-2-amino-1-oxo-2-phenylethyl]-phenylmethoxycarbonylamino]-2-oxo-1-azetidinyl]-2-thiophen-2-ylacetic acid IUPAC Name: 2-[3-[[(2S)-2-amino-2-phenylacetyl]-phenylmethoxycarbonylamino]-2-oxoazetidin-1-yl]-2-thiophen-2-ylacetic acid Traditional Name: 2-[3-[[(2S)-2-amino-2-phenyl-acetyl]-carbobenzoxy-amino]-2-keto-azetidin-1-yl]-2-(2-thienyl)acetic acid Formula: C25H23N3O6S MolecularWeight: 493.53162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1C(C2=CC=CS2)C(=O)O)N(C(=O)C(C3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)N1C(C2=CC=CS2)C(=O)O)N(C(=O)[C@H](C3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O6S/c26-20(17-10-5-2-6-11-17)23(30)28(25(33)34-15-16-8-3-1-4-9-16)18-14-27(22(18)29)21(24(31)32)19-12-7-13-35-19/h1-13,18,20-21H,14-15,26H2,(H,31,32)/t18?,20-,21?/m0/s1