(2S,3R)-2-cyclopentyl-5-methyl-3-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]carbamoyl]hex-5-enoic acid

Systemtic Name: (2S,3R)-2-cyclopentyl-5-methyl-3-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]carbamoyl]hex-5-enoic acid Openeye Name: (2S,3R)-3-[[(1S)-1-benzyl-2-hydroxy-ethyl]carbamoyl]-2-cyclopentyl-5-methyl-hex-5-enoic acid CAS Name: (2S,3R)-2-cyclopentyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-oxomethyl]-5-methyl-5-hexenoic acid IUPAC Name: (2S,3R)-2-cyclopentyl-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]-5-methylhex-5-enoic acid Traditional Name: (2S,3R)-3-[[(1S)-1-benzyl-2-hydroxy-ethyl]carbamoyl]-2-cyclopentyl-5-methyl-hex-5-enoic acid Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C(C1CCCC1)C(=O)O)C(=O)NC(CC2=CC=CC=C2)CO

Isomeric SMILES

CC(=C)C[C@H]([C@H](C1CCCC1)C(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)CO

InChI

InChI=1S/C22H31NO4/c1-15(2)12-19(20(22(26)27)17-10-6-7-11-17)21(25)23-18(14-24)13-16-8-4-3-5-9-16/h3-5,8-9,17-20,24H,1,6-7,10-14H2,2H3,(H,23,25)(H,26,27)/t18-,19+,20-/m0/s1