(2S,3R)-2-[2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[2-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[2-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[2-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]acetyl]amino]-3-methyl-valerate Formula: C22H27N2O7- MolecularWeight: 431.45898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CNC(=O)CCC1=C(C2=C(C=C(C=C2)OC)OC1=O)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)CNC(=O)CCC1=C(C2=C(C=C(C=C2)OC)OC1=O)C

InChI

InChI=1S/C22H28N2O7/c1-5-12(2)20(21(27)28)24-19(26)11-23-18(25)9-8-16-13(3)15-7-6-14(30-4)10-17(15)31-22(16)29/h6-7,10,12,20H,5,8-9,11H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)/p-1/t12-,20+/m1/s1