methyl 4-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]butanoate

Systemtic Name: methyl 4-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]butanoate Openeye Name: methyl 4-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]butanoate CAS Name: 4-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]butyric acid methyl ester Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O4/c1-27-15(24)10-6-11-21-17(26)14(9-5-12-22-18(19)20)23-16(25)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,21,26)(H,23,25)(H4,19,20,22)/t14-/m0/s1