5-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-2-nitro-benzamide

Systemtic Name: 5-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-2-nitro-benzamide Openeye Name: 5-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]-2-nitro-benzamide CAS Name: 5-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-2-nitrobenzamide IUPAC Name: 5-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]-2-nitrobenzamide Traditional Name: 5-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]-2-nitro-benzamide Formula: C20H23N7O5 MolecularWeight: 441.44052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H23N7O5/c21-17(28)14-11-13(8-9-16(14)27(31)32)25-19(30)15(7-4-10-24-20(22)23)26-18(29)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15H,4,7,10H2,(H2,21,28)(H,25,30)(H,26,29)(H4,22,23,24)/t15-/m0/s1