methyl 9-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]nonanoate

Systemtic Name: methyl 9-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]nonanoate Openeye Name: methyl 9-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]nonanoate CAS Name: 9-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]nonanoic acid methyl ester IUPAC Name: methyl 9-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]nonanoate Traditional Name: 9-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]pelargonic acid methyl ester Formula: C23H37N5O4 MolecularWeight: 447.57098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCCCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C23H37N5O4/c1-32-20(29)15-9-4-2-3-5-10-16-26-22(31)19(14-11-17-27-23(24)25)28-21(30)18-12-7-6-8-13-18/h6-8,12-13,19H,2-5,9-11,14-17H2,1H3,(H,26,31)(H,28,30)(H4,24,25,27)/t19-/m0/s1