methyl (2S)-2-[2-[2-[bis(azanyl)methylideneamino]ethanoylamino]ethanoylamino]-3-[4-(2-phenylethynyl)phenyl]propanoate

Systemtic Name: methyl (2S)-2-[2-[2-[bis(azanyl)methylideneamino]ethanoylamino]ethanoylamino]-3-[4-(2-phenylethynyl)phenyl]propanoate Openeye Name: methyl (2S)-2-[[2-[(2-guanidinoacetyl)amino]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate CAS Name: (2S)-2-[[2-[[2-(diaminomethylideneamino)-1-oxoethyl]amino]-1-oxoethyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[2-(diaminomethylideneamino)acetyl]amino]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate Traditional Name: (2S)-2-[[2-[(2-guanidinoacetyl)amino]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propionic acid methyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)CNC(=O)CN=C(N)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)CNC(=O)CN=C(N)N

InChI

InChI=1S/C23H25N5O4/c1-32-22(31)19(28-21(30)15-26-20(29)14-27-23(24)25)13-18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h2-6,9-12,19H,13-15H2,1H3,(H,26,29)(H,28,30)(H4,24,25,27)/t19-/m0/s1