2-[3-[bis(azanyl)methylideneamino]propanoylamino]-3-naphthalen-2-yl-N-(2-oxidanylidene-4-phenoxy-azetidin-3-yl)propanamide

Systemtic Name: 2-[3-[bis(azanyl)methylideneamino]propanoylamino]-3-naphthalen-2-yl-N-(2-oxidanylidene-4-phenoxy-azetidin-3-yl)propanamide Openeye Name: 2-(3-guanidinopropanoylamino)-3-(2-naphthyl)-N-(2-oxo-4-phenoxy-azetidin-3-yl)propanamide CAS Name: 2-[[3-(diaminomethylideneamino)-1-oxopropyl]amino]-3-(2-naphthalenyl)-N-(2-oxo-4-phenoxy-3-azetidinyl)propanamide IUPAC Name: 2-[3-(diaminomethylideneamino)propanoylamino]-3-naphthalen-2-yl-N-(2-oxo-4-phenoxyazetidin-3-yl)propanamide Traditional Name: 2-(3-guanidinopropanoylamino)-N-(2-keto-4-phenoxy-azetidin-3-yl)-3-(2-naphthyl)propionamide Formula: C26H28N6O4 MolecularWeight: 488.53832

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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)CCN=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)CCN=C(N)N

InChI

InChI=1S/C26H28N6O4/c27-26(28)29-13-12-21(33)30-20(15-16-10-11-17-6-4-5-7-18(17)14-16)23(34)31-22-24(35)32-25(22)36-19-8-2-1-3-9-19/h1-11,14,20,22,25H,12-13,15H2,(H,30,33)(H,31,34)(H,32,35)(H4,27,28,29)