methyl 3-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoate

Systemtic Name: methyl 3-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoate Openeye Name: methyl 3-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]propanoate CAS Name: 3-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]propionic acid methyl ester Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O4/c1-26-14(23)9-11-20-16(25)13(8-5-10-21-17(18)19)22-15(24)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,20,25)(H,22,24)(H4,18,19,21)/t13-/m0/s1