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

Systemtic Name: 4-azanyl-5-[[1-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[1-[[2-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-[[1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-[[1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[1-[[2-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-(methylthio)propyl]amino]-5-keto-valeric acid Formula: C22H32N4O8S MolecularWeight: 512.57648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O8S/c1-12(19(30)26-17(22(33)34)11-13-3-5-14(27)6-4-13)24-21(32)16(9-10-35-2)25-20(31)15(23)7-8-18(28)29/h3-6,12,15-17,27H,7-11,23H2,1-2H3,(H,24,32)(H,25,31)(H,26,30)(H,28,29)(H,33,34)