3-[3-(1-azanylethenylamino)propyl]-1-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-4-oxidanylidene-azetidine-2-carboxylic acid

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-1-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-1-[(1-benzyl-2-methoxy-2-oxo-ethyl)carbamoyl]-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-1-[[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-1-[(1-benzyl-2-keto-2-methoxy-ethyl)carbamoyl]-4-keto-azetidine-2-carboxylic acid Formula: C20H26N4O6 MolecularWeight: 418.44364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2C(C(C2=O)CCCNC(=C)N)C(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2C(C(C2=O)CCCNC(=C)N)C(=O)O

InChI

InChI=1S/C20H26N4O6/c1-12(21)22-10-6-9-14-16(18(26)27)24(17(14)25)20(29)23-15(19(28)30-2)11-13-7-4-3-5-8-13/h3-5,7-8,14-16,22H,1,6,9-11,21H2,2H3,(H,23,29)(H,26,27)