methyl (2S)-2-[[(2S)-2-[(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylamino]-3-phenyl-propanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylamino]-3-phenyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[(3-acetamido-2-oxo-chromen-6-yl)sulfonylamino]-3-phenyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[(3-acetamido-2-oxo-1-benzopyran-6-yl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[(3-acetamido-2-oxochromen-6-yl)sulfonylamino]-3-phenylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[(3-acetamido-2-keto-chromen-6-yl)sulfonylamino]-3-phenyl-propanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C26H29N3O8S MolecularWeight: 543.58876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C(=C3)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C(=C3)NC(=O)C

InChI

InChI=1S/C26H29N3O8S/c1-15(2)23(26(33)36-4)28-24(31)20(12-17-8-6-5-7-9-17)29-38(34,35)19-10-11-22-18(13-19)14-21(25(32)37-22)27-16(3)30/h5-11,13-15,20,23,29H,12H2,1-4H3,(H,27,30)(H,28,31)/t20-,23-/m0/s1