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

Systemtic Name: 3-azanyl-4-[[1-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[[2-hydroxy-1-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[3-hydroxy-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[3-hydroxy-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[2-hydroxy-1-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]propyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C22H32N4O9 MolecularWeight: 496.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C22H32N4O9/c1-10(2)17(25-19(31)14(23)9-16(29)30)20(32)26-18(11(3)27)21(33)24-15(22(34)35)8-12-4-6-13(28)7-5-12/h4-7,10-11,14-15,17-18,27-28H,8-9,23H2,1-3H3,(H,24,33)(H,25,31)(H,26,32)(H,29,30)(H,34,35)