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

Systemtic Name: 3-[7-(5-azanylpentyl)-2,5-bis(oxidanylidene)-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid Openeye Name: 3-[7-(5-aminopentyl)-1-benzyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid CAS Name: 3-[7-(5-aminopentyl)-2,5-dioxo-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid IUPAC Name: 3-[7-(5-aminopentyl)-1-benzyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid Traditional Name: 3-[7-(5-aminopentyl)-1-benzyl-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid Formula: C36H37N3O4 MolecularWeight: 575.69668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H37N3O4/c37-22-12-4-7-13-26-20-21-31-30(23-26)35(42)39(32(24-33(40)41)28-16-8-2-9-17-28)34(29-18-10-3-11-19-29)36(43)38(31)25-27-14-5-1-6-15-27/h1-3,5-6,8-11,14-21,23,32,34H,4,7,12-13,22,24-25,37H2,(H,40,41)