(2S)-2-[2-[(1R,2R)-3-oxidanylidene-2-pentyl-cyclopentyl]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-[(1R,2R)-3-oxidanylidene-2-pentyl-cyclopentyl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-[(1R,2R)-3-oxo-2-pentyl-cyclopentyl]acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[1-oxo-2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-[(1R,2R)-2-amyl-3-keto-cyclopentyl]acetyl]amino]-3-phenyl-propionic acid Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(CCC1=O)CC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC[C@@H]1[C@H](CCC1=O)CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H29NO4/c1-2-3-5-10-17-16(11-12-19(17)23)14-20(24)22-18(21(25)26)13-15-8-6-4-7-9-15/h4,6-9,16-18H,2-3,5,10-14H2,1H3,(H,22,24)(H,25,26)/t16-,17-,18+/m1/s1