2-azanyl-2-(2-azanyl-3-phenyl-propanoyl)-5-(5-cyano-2,3-dihydro-1-benzofuran-3-yl)-4-oxidanylidene-3-propan-2-yl-pentanoic acid

Systemtic Name: 2-azanyl-2-(2-azanyl-3-phenyl-propanoyl)-5-(5-cyano-2,3-dihydro-1-benzofuran-3-yl)-4-oxidanylidene-3-propan-2-yl-pentanoic acid Openeye Name: 2-amino-2-(2-amino-3-phenyl-propanoyl)-5-(5-cyano-2,3-dihydrobenzofuran-3-yl)-3-isopropyl-4-oxo-pentanoic acid CAS Name: 2-amino-2-(2-amino-1-oxo-3-phenylpropyl)-5-(5-cyano-2,3-dihydrobenzofuran-3-yl)-4-oxo-3-propan-2-ylpentanoic acid IUPAC Name: 2-amino-2-(2-amino-3-phenylpropanoyl)-5-(5-cyano-2,3-dihydro-1-benzofuran-3-yl)-4-oxo-3-propan-2-ylpentanoic acid Traditional Name: 2,4-diamino-2-[3-(5-cyanocoumaran-3-yl)-1-isopropyl-2-keto-propyl]-3-keto-5-phenyl-valeric acid Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)CC1COC2=C1C=C(C=C2)C#N)C(C(=O)C(CC3=CC=CC=C3)N)(C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)CC1COC2=C1C=C(C=C2)C#N)C(C(=O)C(CC3=CC=CC=C3)N)(C(=O)O)N

InChI

InChI=1S/C26H29N3O5/c1-15(2)23(21(30)12-18-14-34-22-9-8-17(13-27)10-19(18)22)26(29,25(32)33)24(31)20(28)11-16-6-4-3-5-7-16/h3-10,15,18,20,23H,11-12,14,28-29H2,1-2H3,(H,32,33)