4-azanyl-5-[[6-azanyl-1-[[3-(4-hydroxyphenyl)-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-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-phenyl-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-[(1-benzyl-2-hydroxy-2-oxo-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-1-oxo-3-phenylpropan-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-phenylpropan-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-benzyl-2-hydroxy-2-keto-ethyl)amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C29H39N5O8 MolecularWeight: 585.64866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C29H39N5O8/c30-15-5-4-8-22(32-26(38)21(31)13-14-25(36)37)27(39)33-23(16-19-9-11-20(35)12-10-19)28(40)34-24(29(41)42)17-18-6-2-1-3-7-18/h1-3,6-7,9-12,21-24,35H,4-5,8,13-17,30-31H2,(H,32,38)(H,33,39)(H,34,40)(H,36,37)(H,41,42)