4-[2-(1H-imidazol-2-ylamino)ethanoylamino]-N-[1-oxidanylidene-1-[(2-oxidanylidene-4-phenoxy-azetidin-3-yl)amino]-3-phenyl-propan-2-yl]butanamide

Systemtic Name: 4-[2-(1H-imidazol-2-ylamino)ethanoylamino]-N-[1-oxidanylidene-1-[(2-oxidanylidene-4-phenoxy-azetidin-3-yl)amino]-3-phenyl-propan-2-yl]butanamide Openeye Name: N-[1-benzyl-2-oxo-2-[(2-oxo-4-phenoxy-azetidin-3-yl)amino]ethyl]-4-[[2-(1H-imidazol-2-ylamino)acetyl]amino]butanamide CAS Name: 4-[[2-(1H-imidazol-2-ylamino)-1-oxoethyl]amino]-N-[1-oxo-1-[(2-oxo-4-phenoxy-3-azetidinyl)amino]-3-phenylpropan-2-yl]butanamide IUPAC Name: 4-[[2-(1H-imidazol-2-ylamino)acetyl]amino]-N-[1-oxo-1-[(2-oxo-4-phenoxyazetidin-3-yl)amino]-3-phenylpropan-2-yl]butanamide Traditional Name: N-[1-benzyl-2-keto-2-[(2-keto-4-phenoxy-azetidin-3-yl)amino]ethyl]-4-[[2-(1H-imidazol-2-ylamino)acetyl]amino]butyramide Formula: C27H31N7O5 MolecularWeight: 533.57894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2C(NC2=O)OC3=CC=CC=C3)NC(=O)CCCNC(=O)CNC4=NC=CN4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2C(NC2=O)OC3=CC=CC=C3)NC(=O)CCCNC(=O)CNC4=NC=CN4

InChI

InChI=1S/C27H31N7O5/c35-21(12-7-13-28-22(36)17-31-27-29-14-15-30-27)32-20(16-18-8-3-1-4-9-18)24(37)33-23-25(38)34-26(23)39-19-10-5-2-6-11-19/h1-6,8-11,14-15,20,23,26H,7,12-13,16-17H2,(H,28,36)(H,32,35)(H,33,37)(H,34,38)(H2,29,30,31)