2-[[5-azanyl-2-(sulfanylmethyl)pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[5-azanyl-2-(sulfanylmethyl)pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[5-amino-2-(sulfanylmethyl)pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[5-amino-2-(mercaptomethyl)-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[5-amino-2-(sulfanylmethyl)pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[5-amino-2-(mercaptomethyl)pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CCCN)CS

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CCCN)CS

InChI

InChI=1S/C17H23N3O3S/c18-7-3-4-11(10-24)16(21)20-15(17(22)23)8-12-9-19-14-6-2-1-5-13(12)14/h1-2,5-6,9,11,15,19,24H,3-4,7-8,10,18H2,(H,20,21)(H,22,23)