(2S)-2-[[1-(2-azaniumylethanoyl)piperidin-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[[1-(2-azaniumylethanoyl)piperidin-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[1-(2-azaniumylacetyl)piperidine-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[[1-(2-ammonio-1-oxoethyl)-4-piperidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[1-(2-azaniumylacetyl)piperidine-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[1-(2-ammonioacetyl)isonipecotoyl]amino]-3-(1H-indol-3-yl)propionate Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])C(=O)C[NH3+]

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])C(=O)C[NH3+]

InChI

InChI=1S/C19H24N4O4/c20-10-17(24)23-7-5-12(6-8-23)18(25)22-16(19(26)27)9-13-11-21-15-4-2-1-3-14(13)15/h1-4,11-12,16,21H,5-10,20H2,(H,22,25)(H,26,27)/t16-/m0/s1