3-[7-(5-azanylpentyl)-2,5-bis(oxidanylidene)-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoic acid

Systemtic Name: 3-[7-(5-azanylpentyl)-2,5-bis(oxidanylidene)-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoic acid Openeye Name: 3-[7-(5-aminopentyl)-1-isopropyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid CAS Name: 3-[7-(5-aminopentyl)-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoic acid IUPAC Name: 3-[7-(5-aminopentyl)-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoic acid Traditional Name: 3-[7-(5-aminopentyl)-1-isopropyl-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butyric acid Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)CCCCCN)C(=O)N(C(C1=O)C3=CC=CC=C3)C(C)CC(=O)O

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)CCCCCN)C(=O)N(C(C1=O)C3=CC=CC=C3)C(C)CC(=O)O

InChI

InChI=1S/C27H35N3O4/c1-18(2)29-23-14-13-20(10-6-5-9-15-28)17-22(23)26(33)30(19(3)16-24(31)32)25(27(29)34)21-11-7-4-8-12-21/h4,7-8,11-14,17-19,25H,5-6,9-10,15-16,28H2,1-3H3,(H,31,32)