(2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-hydroxypropanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-propionate Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)/t10-,12-/m0/s1