N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-5-phenethyloxy-1H-indole-2-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-5-phenethyloxy-1H-indole-2-carboxamide Openeye Name: N-[(1S)-1-carbamoyl-4-guanidino-butyl]-5-phenethyloxy-1H-indole-2-carboxamide CAS Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-phenethyloxy-1H-indole-2-carboxamide IUPAC Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-phenethyloxy-1H-indole-2-carboxamide Traditional Name: N-[(1S)-1-carbamoyl-4-guanidino-butyl]-5-phenethyloxy-1H-indole-2-carboxamide Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC3=C(C=C2)NC(=C3)C(=O)NC(CCCN=C(N)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC3=C(C=C2)NC(=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N

InChI

InChI=1S/C23H28N6O3/c24-21(30)19(7-4-11-27-23(25)26)29-22(31)20-14-16-13-17(8-9-18(16)28-20)32-12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13-14,19,28H,4,7,10-12H2,(H2,24,30)(H,29,31)(H4,25,26,27)/t19-/m0/s1