3-azanyl-4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-methyl-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-methyl-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-methyl-4-oxobutanoic acid Traditional Name: 3-amino-4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-2-methyl-butyric acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5/c1-8(15(21)22)13(17)14(20)19-12(16(23)24)6-9-7-18-11-5-3-2-4-10(9)11/h2-5,7-8,12-13,18H,6,17H2,1H3,(H,19,20)(H,21,22)(H,23,24)