methyl 6-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoate

Systemtic Name: methyl 6-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoate Openeye Name: methyl 6-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]hexanoate CAS Name: 6-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]hexanoate Traditional Name: 6-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]hexanoic acid methyl ester Formula: C20H31N5O4 MolecularWeight: 405.49124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5O4/c1-29-17(26)12-6-3-7-13-23-19(28)16(11-8-14-24-20(21)22)25-18(27)15-9-4-2-5-10-15/h2,4-5,9-10,16H,3,6-8,11-14H2,1H3,(H,23,28)(H,25,27)(H4,21,22,24)/t16-/m0/s1