(2S)-2-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]glutaric acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13+/m1/s1