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

Systemtic Name: 4-azanyl-5-[[1-[[3-(4-hydroxyphenyl)-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[1-[[2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-[[1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-[[1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[1-[[2-[[1-carboxy-3-(methylthio)propyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-2-methyl-butyl]amino]-5-keto-valeric acid Formula: C25H38N4O8S MolecularWeight: 554.65622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N4O8S/c1-4-14(2)21(29-22(33)17(26)9-10-20(31)32)24(35)28-19(13-15-5-7-16(30)8-6-15)23(34)27-18(25(36)37)11-12-38-3/h5-8,14,17-19,21,30H,4,9-13,26H2,1-3H3,(H,27,34)(H,28,35)(H,29,33)(H,31,32)(H,36,37)