4-azanyl-5-[[6-azanyl-1-[[3-(4-hydroxyphenyl)-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]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-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[5-amino-1-[[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]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-3-mercapto-1-oxopropan-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-1-oxo-3-sulfanylpropan-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-[[1-(4-hydroxybenzyl)-2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C23H35N5O8S MolecularWeight: 541.6177

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)O

InChI

InChI=1S/C23H35N5O8S/c24-10-2-1-3-16(26-20(32)15(25)8-9-19(30)31)21(33)27-17(11-13-4-6-14(29)7-5-13)22(34)28-18(12-37)23(35)36/h4-7,15-18,29,37H,1-3,8-12,24-25H2,(H,26,32)(H,27,33)(H,28,34)(H,30,31)(H,35,36)