(2S)-2-[[(2S)-2-azaniumyl-5-[bis(azanyl)methylideneazaniumyl]pentanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-5-[bis(azanyl)methylideneazaniumyl]pentanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-5-(diaminomethyleneammonio)pentanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-5-(diaminomethylideneammonio)-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-5-(diaminomethylideneazaniumyl)pentanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-5-(diaminomethyleneammonio)pentanoyl]amino]-3-(1H-indol-3-yl)propionate Formula: C17H25N6O3+ MolecularWeight: 361.4188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C(CCC[NH+]=C(N)N)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+]

InChI

InChI=1S/C17H24N6O3/c18-12(5-3-7-21-17(19)20)15(24)23-14(16(25)26)8-10-9-22-13-6-2-1-4-11(10)13/h1-2,4,6,9,12,14,22H,3,5,7-8,18H2,(H,23,24)(H,25,26)(H4,19,20,21)/p+1/t12-,14-/m0/s1