N-[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]propanoyl]-4-methyl-2-oxidanylidene-chromene-7-carboxamide

Systemtic Name: N-[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]propanoyl]-4-methyl-2-oxidanylidene-chromene-7-carboxamide Openeye Name: N-[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]propanoyl]-4-methyl-2-oxo-chromene-7-carboxamide CAS Name: N-[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-1-oxopentyl]amino]-1-oxopropyl]-4-methyl-2-oxo-1-benzopyran-7-carboxamide IUPAC Name: N-[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]propanoyl]-4-methyl-2-oxochromene-7-carboxamide Traditional Name: N-[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]propanoyl]-2-keto-4-methyl-chromene-7-carboxamide Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(=O)C1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)C1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)C

InChI

InChI=1S/C22H27N3O6/c1-6-11(2)19(24-14(5)26)22(30)23-13(4)20(28)25-21(29)15-7-8-16-12(3)9-18(27)31-17(16)10-15/h7-11,13,19H,6H2,1-5H3,(H,23,30)(H,24,26)(H,25,28,29)/t11-,13-,19-/m0/s1