4-azanyl-5-[[6-azanyl-1-[[3-(4-hydroxyphenyl)-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[6-azanyl-1-[[3-(4-hydroxyphenyl)-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[5-amino-1-[[2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[6-amino-1-[[1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[6-amino-1-[[1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[5-amino-1-[[2-[[1-carboxy-3-(methylthio)propyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C25H39N5O8S MolecularWeight: 569.67086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N5O8S/c1-39-13-11-19(25(37)38)29-24(36)20(14-15-5-7-16(31)8-6-15)30-23(35)18(4-2-3-12-26)28-22(34)17(27)9-10-21(32)33/h5-8,17-20,31H,2-4,9-14,26-27H2,1H3,(H,28,34)(H,29,36)(H,30,35)(H,32,33)(H,37,38)