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

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]hexanedioic acid Openeye Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanedioic acid CAS Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]hexanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanedioic acid Traditional Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]adipic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5/c18-12(8-10-9-19-13-5-2-1-4-11(10)13)16(23)20-14(17(24)25)6-3-7-15(21)22/h1-2,4-5,9,12,14,19H,3,6-8,18H2,(H,20,23)(H,21,22)(H,24,25)/t12-,14-/m0/s1