methyl (2S)-2-[[(2S)-1-(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-1-(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-1-(3-acetamido-2-oxo-chromen-6-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[(2S)-1-[(3-acetamido-2-oxo-1-benzopyran-6-yl)sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-1-(3-acetamido-2-oxochromen-6-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(2S)-1-(3-acetamido-2-keto-chromen-6-yl)sulfonylprolyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C20H23N3O9S MolecularWeight: 481.47632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3C(=O)NC(CO)C(=O)OC)OC1=O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=CC(=C2)S(=O)(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)OC)OC1=O

InChI

InChI=1S/C20H23N3O9S/c1-11(25)21-14-9-12-8-13(5-6-17(12)32-20(14)28)33(29,30)23-7-3-4-16(23)18(26)22-15(10-24)19(27)31-2/h5-6,8-9,15-16,24H,3-4,7,10H2,1-2H3,(H,21,25)(H,22,26)/t15-,16-/m0/s1