2,5-bis(azanyl)-2-(2-azanyl-3-phenyl-propanoyl)-3-[2-(7-nitro-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-(7-nitro-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-(7-nitro-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-(7-nitro-2,3-dihydrobenzofuran-3-yl)-1-oxoethyl]-4-oxo-6-phenylhexanoic acid IUPAC Name: 2,5-diamino-2-(2-amino-3-phenylpropanoyl)-3-[2-(7-nitro-2,3-dihydro-1-benzofuran-3-yl)acetyl]-4-oxo-6-phenylhexanoic acid Traditional Name: 2,5-diamino-4-keto-3-[2-(7-nitrocoumaran-3-yl)acetyl]-6-phenyl-2-phenylalanyl-hexanoic acid Formula: C31H32N4O8 MolecularWeight: 588.60778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C(=CC=C2)[N+](=O)[O-])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)[N+](=O)[O-])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/C31H32N4O8/c32-22(14-18-8-3-1-4-9-18)27(37)26(25(36)16-20-17-43-28-21(20)12-7-13-24(28)35(41)42)31(34,30(39)40)29(38)23(33)15-19-10-5-2-6-11-19/h1-13,20,22-23,26H,14-17,32-34H2,(H,39,40)