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

Systemtic Name: 3-[[3-(1H-indol-2-yl)-2-(tetradecanoylamino)propanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[3-(1H-indol-2-yl)-2-(tetradecanoylamino)propanoyl]amino]-4-oxo-pentanoic acid CAS Name: 3-[[3-(1H-indol-2-yl)-1-oxo-2-(1-oxotetradecylamino)propyl]amino]-4-oxopentanoic acid IUPAC Name: 3-[[3-(1H-indol-2-yl)-2-(tetradecanoylamino)propanoyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[3-(1H-indol-2-yl)-2-(tetradecanoylamino)propanoyl]amino]-4-keto-valeric acid Formula: C30H45N3O5 MolecularWeight: 527.6954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(CC1=CC2=CC=CC=C2N1)C(=O)NC(CC(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC(CC1=CC2=CC=CC=C2N1)C(=O)NC(CC(=O)O)C(=O)C

InChI

InChI=1S/C30H45N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-18-28(35)32-27(30(38)33-26(22(2)34)21-29(36)37)20-24-19-23-16-14-15-17-25(23)31-24/h14-17,19,26-27,31H,3-13,18,20-21H2,1-2H3,(H,32,35)(H,33,38)(H,36,37)