4-[bis(azanyl)methylideneamino]-N-[3-naphthalen-2-yl-1-oxidanylidene-1-[(2-oxidanylidene-4-phenoxy-azetidin-3-yl)amino]propan-2-yl]butanamide

Systemtic Name: 4-[bis(azanyl)methylideneamino]-N-[3-naphthalen-2-yl-1-oxidanylidene-1-[(2-oxidanylidene-4-phenoxy-azetidin-3-yl)amino]propan-2-yl]butanamide Openeye Name: 4-guanidino-N-[1-(2-naphthylmethyl)-2-oxo-2-[(2-oxo-4-phenoxy-azetidin-3-yl)amino]ethyl]butanamide CAS Name: 4-(diaminomethylideneamino)-N-[3-(2-naphthalenyl)-1-oxo-1-[(2-oxo-4-phenoxy-3-azetidinyl)amino]propan-2-yl]butanamide IUPAC Name: 4-(diaminomethylideneamino)-N-[3-naphthalen-2-yl-1-oxo-1-[(2-oxo-4-phenoxyazetidin-3-yl)amino]propan-2-yl]butanamide Traditional Name: 4-guanidino-N-[2-keto-2-[(2-keto-4-phenoxy-azetidin-3-yl)amino]-1-(2-naphthylmethyl)ethyl]butyramide Formula: C27H30N6O4 MolecularWeight: 502.5649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2C(C(=O)N2)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)CCCN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)OC2C(C(=O)N2)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)CCCN=C(N)N

InChI

InChI=1S/C27H30N6O4/c28-27(29)30-14-6-11-22(34)31-21(16-17-12-13-18-7-4-5-8-19(18)15-17)24(35)32-23-25(36)33-26(23)37-20-9-2-1-3-10-20/h1-5,7-10,12-13,15,21,23,26H,6,11,14,16H2,(H,31,34)(H,32,35)(H,33,36)(H4,28,29,30)