2-[4-[[(2S)-1-[(2S)-2-[[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[(2S)-1-[(2S)-2-[[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[(1S)-1-[(2S)-2-[[(1S)-1-(1,3-benzoxazole-2-carbonyl)-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]phenoxy]acetic acid CAS Name: 2-[4-[[[(2S)-1-[(2S)-2-[[[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-[[(2S)-1-[(2S)-2-[[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenoxy]acetic acid Traditional Name: 2-[4-[[(1S)-1-[(2S)-2-[[(1S)-1-(1,3-benzoxazole-2-carbonyl)-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]phenoxy]acetic acid Formula: C31H36N4O8 MolecularWeight: 592.63954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C4=CC=C(C=C4)OCC(=O)O

Isomeric SMILES

CC(C)[C@@H](C(=O)C1=NC2=CC=CC=C2O1)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)C4=CC=C(C=C4)OCC(=O)O

InChI

InChI=1S/C31H36N4O8/c1-17(2)25(27(38)30-32-21-8-5-6-10-23(21)43-30)33-29(40)22-9-7-15-35(22)31(41)26(18(3)4)34-28(39)19-11-13-20(14-12-19)42-16-24(36)37/h5-6,8,10-14,17-18,22,25-26H,7,9,15-16H2,1-4H3,(H,33,40)(H,34,39)(H,36,37)/t22-,25-,26-/m0/s1