3-azanyl-4-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-tert-butyl-6-[5-(4-cyanophenyl)pentanoyl]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-tert-butyl-6-[5-(4-cyanophenyl)pentanoyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-oxo-propyl)-2-tert-butyl-6-[5-(4-cyanophenyl)pentanoyl]phenyl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-oxopropyl)-2-tert-butyl-6-[5-(4-cyanophenyl)-1-oxopentyl]phenyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-oxopropyl)-2-tert-butyl-6-[5-(4-cyanophenyl)pentanoyl]phenyl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-keto-propyl)-2-tert-butyl-6-[5-(4-cyanophenyl)pentanoyl]phenyl]-4-keto-butyric acid Formula: C29H35N3O6 MolecularWeight: 521.6047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1C(=O)C(CC(=O)O)N)C(=O)CCCCC2=CC=C(C=C2)C#N)CC(C(=O)O)N

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1C(=O)C(CC(=O)O)N)C(=O)CCCCC2=CC=C(C=C2)C#N)CC(C(=O)O)N

InChI

InChI=1S/C29H35N3O6/c1-29(2,3)26-19(14-22(32)28(37)38)12-13-20(25(26)27(36)21(31)15-24(34)35)23(33)7-5-4-6-17-8-10-18(16-30)11-9-17/h8-13,21-22H,4-7,14-15,31-32H2,1-3H3,(H,34,35)(H,37,38)