2,5-bis(azanyl)-2-(2-azanyl-3-phenyl-propanoyl)-3-[2-(5-cyano-2,3-dihydro-1-benzofuran-3-yl)ethanoyl]-4-oxidanylidene-6-phenyl-hexanoic acid

Systemtic Name: 2,5-bis(azanyl)-2-(2-azanyl-3-phenyl-propanoyl)-3-[2-(5-cyano-2,3-dihydro-1-benzofuran-3-yl)ethanoyl]-4-oxidanylidene-6-phenyl-hexanoic acid Openeye Name: 2,5-diamino-2-(2-amino-3-phenyl-propanoyl)-3-[2-(5-cyano-2,3-dihydrobenzofuran-3-yl)acetyl]-4-oxo-6-phenyl-hexanoic acid CAS Name: 2,5-diamino-2-(2-amino-1-oxo-3-phenylpropyl)-3-[2-(5-cyano-2,3-dihydrobenzofuran-3-yl)-1-oxoethyl]-4-oxo-6-phenylhexanoic acid IUPAC Name: 2,5-diamino-2-(2-amino-3-phenylpropanoyl)-3-[2-(5-cyano-2,3-dihydro-1-benzofuran-3-yl)acetyl]-4-oxo-6-phenylhexanoic acid Traditional Name: 2,5-diamino-3-[2-(5-cyanocoumaran-3-yl)acetyl]-4-keto-6-phenyl-2-phenylalanyl-hexanoic acid Formula: C32H32N4O6 MolecularWeight: 568.61968

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C#N)CC(=O)C(C(=O)C(CC3=CC=CC=C3)N)C(C(=O)C(CC4=CC=CC=C4)N)(C(=O)O)N

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C#N)CC(=O)C(C(=O)C(CC3=CC=CC=C3)N)C(C(=O)C(CC4=CC=CC=C4)N)(C(=O)O)N

InChI

InChI=1S/C32H32N4O6/c33-17-21-11-12-27-23(13-21)22(18-42-27)16-26(37)28(29(38)24(34)14-19-7-3-1-4-8-19)32(36,31(40)41)30(39)25(35)15-20-9-5-2-6-10-20/h1-13,22,24-25,28H,14-16,18,34-36H2,(H,40,41)