4-azanyl-5-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-hydroxy-1-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]propyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[3-hydroxy-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[3-hydroxy-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-hydroxy-1-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]propyl]amino]-5-keto-valeric acid Formula: C18H25N3O8 MolecularWeight: 411.4064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O8/c1-9(22)15(21-16(26)12(19)6-7-14(24)25)17(27)20-13(18(28)29)8-10-2-4-11(23)5-3-10/h2-5,9,12-13,15,22-23H,6-8,19H2,1H3,(H,20,27)(H,21,26)(H,24,25)(H,28,29)