(2S)-2-[[(2S)-1-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Openeye Name: (2S)-2-[[(2S)-1-[2-(1,3-benzodioxol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-3-(4-tert-butoxyphenyl)propanoic acid CAS Name: (2S)-2-[[[(2S)-1-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[2-(1,3-benzodioxol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Traditional Name: (2S)-2-[[(2S)-1-[2-(1,3-benzodioxol-5-yl)acetyl]prolyl]amino]-3-(4-tert-butoxyphenyl)propionic acid Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H32N2O7/c1-27(2,3)36-19-9-6-17(7-10-19)13-20(26(32)33)28-25(31)21-5-4-12-29(21)24(30)15-18-8-11-22-23(14-18)35-16-34-22/h6-11,14,20-21H,4-5,12-13,15-16H2,1-3H3,(H,28,31)(H,32,33)/t20-,21-/m0/s1