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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneazaniumyl]pentanoyl]amino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methyl-pentanoyl]amino]-5-(diaminomethyleneammonio)pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-ammonio-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneammonio)-1-oxopentyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylpentanoyl]amino]-5-(diaminomethylideneazaniumyl)pentanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-ammonio-4-methyl-pentanoyl]amino]-5-(diaminomethyleneammonio)pentanoyl]amino]-4-methyl-valerate Formula: C18H37N6O4+ MolecularWeight: 401.52418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36N6O4/c1-10(2)8-12(19)15(25)23-13(6-5-7-22-18(20)21)16(26)24-14(17(27)28)9-11(3)4/h10-14H,5-9,19H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)(H4,20,21,22)/p+1/t12-,13-,14-/m0/s1