(2S)-2-[2-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]ethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]ethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[[2-(6-chloro-2-keto-7-methoxy-4-methyl-chromen-3-yl)acetyl]amino]acetyl]amino]-3-methyl-butyrate Formula: C20H22ClN2O7- MolecularWeight: 437.85088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)NCC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C20H23ClN2O7/c1-9(2)18(19(26)27)23-17(25)8-22-16(24)6-12-10(3)11-5-13(21)15(29-4)7-14(11)30-20(12)28/h5,7,9,18H,6,8H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)/p-1/t18-/m0/s1