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

Systemtic Name: (2R,3S)-3-methyl-2-[2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethanoylamino]pentanoate Openeye Name: (2R,3S)-2-[[2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]acetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methylpentanoate IUPAC Name: (2R,3S)-2-[[2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]acetyl]amino]-3-methyl-valerate Formula: C21H25N2O7- MolecularWeight: 417.4324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H26N2O7/c1-4-11(2)19(20(27)28)23-18(26)10-22-17(25)8-7-15-12(3)14-6-5-13(24)9-16(14)30-21(15)29/h5-6,9,11,19,24H,4,7-8,10H2,1-3H3,(H,22,25)(H,23,26)(H,27,28)/p-1/t11-,19+/m0/s1