ethyl 2-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]benzoate

Systemtic Name: ethyl 2-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]benzoate Openeye Name: ethyl 2-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]benzoate CAS Name: 2-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]benzoate Traditional Name: 2-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]benzoic acid ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C(CCCN=C(N)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)[C@H](CCCN=C(N)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27N5O4/c1-2-31-21(30)16-11-6-7-12-17(16)26-20(29)18(13-8-14-25-22(23)24)27-19(28)15-9-4-3-5-10-15/h3-7,9-12,18H,2,8,13-14H2,1H3,(H,26,29)(H,27,28)(H4,23,24,25)/t18-/m0/s1