4-azanyl-5-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C25H28N4O6/c26-18(10-11-22(30)31)23(32)28-20(13-16-14-27-19-9-5-4-8-17(16)19)24(33)29-21(25(34)35)12-15-6-2-1-3-7-15/h1-9,14,18,20-21,27H,10-13,26H2,(H,28,32)(H,29,33)(H,30,31)(H,34,35)