5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-(3-oxidanylidenebutanoylamino)pentanoic acid

Systemtic Name: 5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-(3-oxidanylidenebutanoylamino)pentanoic acid Openeye Name: 5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-4-(3-oxobutanoylamino)pentanoic acid CAS Name: 4-(1,3-dioxobutylamino)-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxo-4-(3-oxobutanoylamino)pentanoic acid Traditional Name: 4-(acetoacetylamino)-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C20H23N3O7 MolecularWeight: 417.41252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C20H23N3O7/c1-11(24)8-17(25)22-15(6-7-18(26)27)19(28)23-16(20(29)30)9-12-10-21-14-5-3-2-4-13(12)14/h2-5,10,15-16,21H,6-9H2,1H3,(H,22,25)(H,23,28)(H,26,27)(H,29,30)