(2S)-5-[bis(azanyl)methylideneamino]-2-(2-ethylhexanoylamino)pentanoic acid

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-(2-ethylhexanoylamino)pentanoic acid Openeye Name: (2S)-2-(2-ethylhexanoylamino)-5-guanidino-pentanoic acid CAS Name: (2S)-5-(diaminomethylideneamino)-2-[(2-ethyl-1-oxohexyl)amino]pentanoic acid IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-(2-ethylhexanoylamino)pentanoic acid Traditional Name: (2S)-2-(2-ethylhexanoylamino)-5-guanidino-valeric acid Formula: C14H28N4O3 MolecularWeight: 300.39712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C14H28N4O3/c1-3-5-7-10(4-2)12(19)18-11(13(20)21)8-6-9-17-14(15)16/h10-11H,3-9H2,1-2H3,(H,18,19)(H,20,21)(H4,15,16,17)/t10?,11-/m0/s1