(2S)-2-[[(2R)-2-azaniumyl-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneazaniumyl]pentanoate

Systemtic Name: (2S)-2-[[(2R)-2-azaniumyl-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneazaniumyl]pentanoate Openeye Name: (2S)-2-[[(2R)-2-azaniumyl-4-methyl-pentanoyl]amino]-5-(diaminomethyleneammonio)pentanoate CAS Name: (2S)-2-[[(2R)-2-ammonio-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneammonio)pentanoate IUPAC Name: (2S)-2-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]-5-(diaminomethylideneazaniumyl)pentanoate Traditional Name: (2S)-2-[[(2R)-2-ammonio-4-methyl-pentanoyl]amino]-5-(diaminomethyleneammonio)valerate Formula: C12H26N5O3+ MolecularWeight: 288.36654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H25N5O3/c1-7(2)6-8(13)10(18)17-9(11(19)20)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/p+1/t8-,9+/m1/s1