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

Systemtic Name: ethyl 2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]benzoate Openeye Name: ethyl 2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]benzoate CAS Name: 2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]benzoate Traditional Name: 2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]benzoic acid ethyl ester Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O4/c1-3-26-16(25)12-7-4-5-8-13(12)22-15(24)14(21-11(2)23)9-6-10-20-17(18)19/h4-5,7-8,14H,3,6,9-10H2,1-2H3,(H,21,23)(H,22,24)(H4,18,19,20)/t14-/m0/s1