(2R)-2-[[(2R)-2-azaniumyl-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2R)-2-[[(2R)-2-azaniumyl-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2R)-2-[[(2R)-2-azaniumyl-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[(2R)-2-ammonio-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[(2R)-2-ammonio-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propionate Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)[O-])[NH3+]

InChI

InChI=1S/C17H23N3O3/c1-10(2)7-13(18)16(21)20-15(17(22)23)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)/t13-,15-/m1/s1