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

Systemtic Name: N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-nitro-3-(2-pyridin-2-ylethoxy)benzamide Openeye Name: N-[(1S)-1-carbamoyl-4-guanidino-butyl]-4-nitro-3-[2-(2-pyridyl)ethoxy]benzamide CAS Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-nitro-3-[2-(2-pyridinyl)ethoxy]benzamide IUPAC Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-nitro-3-(2-pyridin-2-ylethoxy)benzamide Traditional Name: N-[(1S)-1-carbamoyl-4-guanidino-butyl]-4-nitro-3-[2-(2-pyridyl)ethoxy]benzamide Formula: C20H25N7O5 MolecularWeight: 443.4564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCOC2=C(C=CC(=C2)C(=O)NC(CCCN=C(N)N)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7O5/c21-18(28)15(5-3-10-25-20(22)23)26-19(29)13-6-7-16(27(30)31)17(12-13)32-11-8-14-4-1-2-9-24-14/h1-2,4,6-7,9,12,15H,3,5,8,10-11H2,(H2,21,28)(H,26,29)(H4,22,23,25)/t15-/m0/s1