N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-methoxy-3-(2-pyridin-2-ylethoxy)benzamide

Systemtic Name: N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-methoxy-3-(2-pyridin-2-ylethoxy)benzamide Openeye Name: N-[(1S)-1-carbamoyl-4-guanidino-butyl]-4-methoxy-3-[2-(2-pyridyl)ethoxy]benzamide CAS Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methoxy-3-[2-(2-pyridinyl)ethoxy]benzamide IUPAC Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methoxy-3-(2-pyridin-2-ylethoxy)benzamide Traditional Name: N-[(1S)-1-carbamoyl-4-guanidino-butyl]-4-methoxy-3-[2-(2-pyridyl)ethoxy]benzamide Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N)OCCC2=CC=CC=N2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)OCCC2=CC=CC=N2

InChI

InChI=1S/C21H28N6O4/c1-30-17-8-7-14(13-18(17)31-12-9-15-5-2-3-10-25-15)20(29)27-16(19(22)28)6-4-11-26-21(23)24/h2-3,5,7-8,10,13,16H,4,6,9,11-12H2,1H3,(H2,22,28)(H,27,29)(H4,23,24,26)/t16-/m0/s1