(2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butyrate Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4/c16-10(14(21)19-12(15(22)23)6-13(17)20)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)/t10-,12-/m0/s1