(2S)-4-methyl-2-[2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethanoylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethanoylamino]pentanoic acid Openeye Name: (2S)-2-[[2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]acetyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]acetyl]amino]-4-methyl-valeric acid Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O

InChI

InChI=1S/C21H26N2O7/c1-11(2)8-16(20(27)28)23-19(26)10-22-18(25)7-6-15-12(3)14-5-4-13(24)9-17(14)30-21(15)29/h4-5,9,11,16,24H,6-8,10H2,1-3H3,(H,22,25)(H,23,26)(H,27,28)/t16-/m0/s1