2-[6-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxidanylidene-1H-isoindol-2-yl]-5-oxidanylidene-5-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]pentanoic acid

Systemtic Name: 2-[6-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxidanylidene-1H-isoindol-2-yl]-5-oxidanylidene-5-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]pentanoic acid Openeye Name: 5-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]amino]-2-[5-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]-1-oxo-isoindolin-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-2-[6-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-2-[6-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]amino]-5-keto-2-[1-keto-5-[(1-keto-3-methyl-4H-benzo[f]quinazolin-9-yl)methylamino]isoindolin-2-yl]valeric acid Formula: C36H33N5O7 MolecularWeight: 647.67652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC5=C(C=C4)C(=O)N(C5)C(CCC(=O)NC(CC6=CC=CC=C6)C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC5=C(C=C4)C(=O)N(C5)C(CCC(=O)N[C@@H](CC6=CC=CC=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C36H33N5O7/c1-20-38-28-12-9-23-8-7-22(15-27(23)32(28)33(43)39-20)18-37-25-10-11-26-24(17-25)19-41(34(26)44)30(36(47)48)13-14-31(42)40-29(35(45)46)16-21-5-3-2-4-6-21/h2-12,15,17,29-30,37H,13-14,16,18-19H2,1H3,(H,40,42)(H,45,46)(H,47,48)(H,38,39,43)/t29-,30?/m0/s1