methyl (2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: methyl (2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: methyl (2S)-2-[(2-aminoacetyl)amino]-5-guanidino-pentanoate CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoate Traditional Name: (2S)-2-(glycylamino)-5-guanidino-valeric acid methyl ester Formula: C9H19N5O3 MolecularWeight: 245.27886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN=C(N)N)NC(=O)CN

Isomeric SMILES

COC(=O)[C@H](CCCN=C(N)N)NC(=O)CN

InChI

InChI=1S/C9H19N5O3/c1-17-8(16)6(14-7(15)5-10)3-2-4-13-9(11)12/h6H,2-5,10H2,1H3,(H,14,15)(H4,11,12,13)/t6-/m0/s1