2-[1,3-bis[(2-azanyl-3-methyl-butanoyl)oxy]-1-[2-[(1R,2R)-2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl]propan-2-yl]oxyethanoic acid

Systemtic Name: 2-[1,3-bis[(2-azanyl-3-methyl-butanoyl)oxy]-1-[2-[(1R,2R)-2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl]propan-2-yl]oxyethanoic acid Openeye Name: 2-[2-(2-amino-3-methyl-butanoyl)oxy-1-[(2-amino-3-methyl-butanoyl)oxymethyl]-2-[2-[(1R,2R)-2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-phenyl]ethoxy]acetic acid CAS Name: 2-[1,3-bis(2-amino-3-methyl-1-oxobutoxy)-1-[2-[(1R,2R)-2-[[[(5-bromo-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxopropyl)phenyl]propan-2-yl]oxyacetic acid IUPAC Name: 2-[1,3-bis[(2-amino-3-methylbutanoyl)oxy]-1-[2-[(1R,2R)-2-[(5-bromopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenyl]propan-2-yl]oxyacetic acid Traditional Name: 2-[2-(2-amino-3-methyl-butanoyl)oxy-1-[(2-amino-3-methyl-butanoyl)oxymethyl]-2-[2-[(1R,2R)-2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenyl]ethoxy]acetic acid Formula: C33H43BrFN5O9 MolecularWeight: 752.625023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Br)C(C(COC(=O)C(C(C)C)N)OCC(=O)O)OC(=O)C(C(C)C)N

Isomeric SMILES

CCC(=O)C1=C(C(=C(C=C1)F)[C@H]2C[C@H]2NC(=O)NC3=NC=C(C=C3)Br)C(C(COC(=O)C(C(C)C)N)OCC(=O)O)OC(=O)C(C(C)C)N

InChI

InChI=1S/C33H43BrFN5O9/c1-6-22(41)18-8-9-20(35)26(19-11-21(19)39-33(46)40-24-10-7-17(34)12-38-24)27(18)30(49-32(45)29(37)16(4)5)23(47-14-25(42)43)13-48-31(44)28(36)15(2)3/h7-10,12,15-16,19,21,23,28-30H,6,11,13-14,36-37H2,1-5H3,(H,42,43)(H2,38,39,40,46)/t19-,21+,23?,28?,29?,30?/m0/s1