2-azanyl-2-(2-azanyl-3-phenyl-propanoyl)-5-(5-nitro-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-nitro-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)-3-isopropyl-5-(5-nitro-2,3-dihydrobenzofuran-3-yl)-4-oxo-pentanoic acid CAS Name: 2-amino-2-(2-amino-1-oxo-3-phenylpropyl)-5-(5-nitro-2,3-dihydrobenzofuran-3-yl)-4-oxo-3-propan-2-ylpentanoic acid IUPAC Name: 2-amino-2-(2-amino-3-phenylpropanoyl)-5-(5-nitro-2,3-dihydro-1-benzofuran-3-yl)-4-oxo-3-propan-2-ylpentanoic acid Traditional Name: 2,4-diamino-2-[1-isopropyl-2-keto-3-(5-nitrocoumaran-3-yl)propyl]-3-keto-5-phenyl-valeric acid Formula: C25H29N3O7 MolecularWeight: 483.51366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)CC1COC2=C1C=C(C=C2)[N+](=O)[O-])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)[N+](=O)[O-])C(C(=O)C(CC3=CC=CC=C3)N)(C(=O)O)N

InChI

InChI=1S/C25H29N3O7/c1-14(2)22(20(29)11-16-13-35-21-9-8-17(28(33)34)12-18(16)21)25(27,24(31)32)23(30)19(26)10-15-6-4-3-5-7-15/h3-9,12,14,16,19,22H,10-11,13,26-27H2,1-2H3,(H,31,32)