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

Systemtic Name: methyl 5-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]pentanoate Openeye Name: methyl 5-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]pentanoate CAS Name: 5-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 5-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]pentanoate Traditional Name: 5-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]valeric acid methyl ester Formula: C19H29N5O4 MolecularWeight: 391.46466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O4/c1-28-16(25)11-5-6-12-22-18(27)15(10-7-13-23-19(20)21)24-17(26)14-8-3-2-4-9-14/h2-4,8-9,15H,5-7,10-13H2,1H3,(H,22,27)(H,24,26)(H4,20,21,23)/t15-/m0/s1