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

Systemtic Name: 5-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-2-nitro-benzoic acid Openeye Name: 5-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]-2-nitro-benzoic acid CAS Name: 5-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-2-nitrobenzoic acid IUPAC Name: 5-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]-2-nitrobenzoic acid Traditional Name: 5-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]-2-nitro-benzoic acid Formula: C20H22N6O6 MolecularWeight: 442.42528

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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)O

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)O

InChI

InChI=1S/C20H22N6O6/c21-20(22)23-10-4-7-15(25-17(27)12-5-2-1-3-6-12)18(28)24-13-8-9-16(26(31)32)14(11-13)19(29)30/h1-3,5-6,8-9,11,15H,4,7,10H2,(H,24,28)(H,25,27)(H,29,30)(H4,21,22,23)/t15-/m0/s1