3-[7-[4-(2-azanylpyridin-3-yl)oxybutyl]-2,5-bis(oxidanylidene)-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[7-[4-(2-azanylpyridin-3-yl)oxybutyl]-2,5-bis(oxidanylidene)-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid Openeye Name: 3-[7-[4-[(2-amino-3-pyridyl)oxy]butyl]-1-benzyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid CAS Name: 3-[7-[4-[(2-amino-3-pyridinyl)oxy]butyl]-2,5-dioxo-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid IUPAC Name: 3-[7-[4-(2-aminopyridin-3-yl)oxybutyl]-1-benzyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid Traditional Name: 3-[7-[4-[(2-amino-3-pyridyl)oxy]butyl]-1-benzyl-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid Formula: C40H38N4O5 MolecularWeight: 654.75352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)CCCCOC4=C(N=CC=C4)N)C(=O)N(C(C2=O)C5=CC=CC=C5)C(CC(=O)O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)CCCCOC4=C(N=CC=C4)N)C(=O)N(C(C2=O)C5=CC=CC=C5)C(CC(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C40H38N4O5/c41-38-35(20-12-23-42-38)49-24-11-10-13-28-21-22-33-32(25-28)39(47)44(34(26-36(45)46)30-16-6-2-7-17-30)37(31-18-8-3-9-19-31)40(48)43(33)27-29-14-4-1-5-15-29/h1-9,12,14-23,25,34,37H,10-11,13,24,26-27H2,(H2,41,42)(H,45,46)