3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxo-pentanoic acid CAS Name: 3-[[3-(1H-indol-3-yl)-1-oxo-2-(1-oxopentadecylamino)propyl]amino]-4-oxopentanoic acid IUPAC Name: 3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-keto-valeric acid Formula: C31H47N3O5 MolecularWeight: 541.72198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)O)C(=O)C

InChI

InChI=1S/C31H47N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29(36)33-28(31(39)34-27(23(2)35)21-30(37)38)20-24-22-32-26-18-16-15-17-25(24)26/h15-18,22,27-28,32H,3-14,19-21H2,1-2H3,(H,33,36)(H,34,39)(H,37,38)