9-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]nonanoic acid

Systemtic Name: 9-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]nonanoic acid Openeye Name: 9-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]nonanoic acid CAS Name: 9-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]nonanoic acid IUPAC Name: 9-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]nonanoic acid Traditional Name: 9-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]pelargonic acid Formula: C22H35N5O4 MolecularWeight: 433.5444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCC(=O)O

InChI

InChI=1S/C22H35N5O4/c23-22(24)26-16-10-13-18(27-20(30)17-11-6-5-7-12-17)21(31)25-15-9-4-2-1-3-8-14-19(28)29/h5-7,11-12,18H,1-4,8-10,13-16H2,(H,25,31)(H,27,30)(H,28,29)(H4,23,24,26)/t18-/m0/s1