3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid)

C167H168Cl3F4N23O36S — CID 160751908

IUPAC3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid)
SMILESCCO[C@H]1CCN(C(=O)Cc2cc(Cl)c(NC(=O)c3coc4ccccc34)cc2Cl)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4ccccc4C)oc3c2)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4ccccc4C)oc3c2)[C@@H]1c1ncc(CCC(=O)O)o1.CO[C@H]1C[C@@H](c2ncc(CCC(=O)O)s2)N(C(=O)Cc2ccc(Nc3nc4ccccc4o3)c(Cl)c2)C1
InChIInChI=1S/C29H27Cl2N3O7.2C28H28F2N4O6.2C28H30N4O6.C26H25ClN4O5S/c1-2-39-24-9-10-34(27(24)29-32-14-17(41-29)7-8-26(36)37)25(35)12-16-11-21(31)22(13-20(16)30)33-28(38)19-15-40-23-6-4-3-5-18(19)23;2*1-3-38-21-10-11-34(25(21)27-31-14-18(39-27)7-9-23(36)37)22(35)12-16-5-8-19-26(24(16)30)40-28(32-19)33-20-13-17(29)6-4-15(20)2;2*1-3-36-22-12-13-32(26(22)27-29-16-19(37-27)9-11-25(34)35)24(33)15-18-8-10-21-23(14-18)38-28(31-21)30-20-7-5-4-6-17(20)2;1-35-16-12-21(25-28-13-17(37-25)7-9-24(33)34)31(14-16)23(32)11-15-6-8-19(18(27)10-15)29-26-30-20-4-2-3-5-22(20)36-26/h3-6,11,13-15,24,27H,2,7-10,12H2,1H3,(H,33,38)(H,36,37);2*4-6,8,13-14,21,25H,3,7,9-12H2,1-2H3,(H,32,33)(H,36,37);2*4-8,10,14,16,22,26H,3,9,11-13,15H2,1-2H3,(H,30,31)(H,34,35);2-6,8,10,13,16,21H,7,9,11-12,14H2,1H3,(H,29,30)(H,33,34)/t24-,27-;2*21-,25-;2*22-,26-;16-,21-/m000000/s1
InChIKeyRWXZMLNYCBVRLQ-HMMFUVHUSA-N
MW3287.72 g/mol
LogP30.93
Rot. Bonds59

About 3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid)

3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid) (PubChem CID 160751908) has the molecular formula C167H168Cl3F4N23O36S and a molecular weight of 3287.72 g/mol. Its IUPAC name is 3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid).

Molecular Properties

Compound Name3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid)
PubChem CID160751908
Molecular FormulaC167H168Cl3F4N23O36S
Molecular Weight3287.72 g/mol
Exact Mass3284.07
IUPAC Name3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid)
SMILESCCO[C@H]1CCN(C(=O)Cc2cc(Cl)c(NC(=O)c3coc4ccccc34)cc2Cl)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4ccccc4C)oc3c2)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4ccccc4C)oc3c2)[C@@H]1c1ncc(CCC(=O)O)o1.CO[C@H]1C[C@@H](c2ncc(CCC(=O)O)s2)N(C(=O)Cc2ccc(Nc3nc4ccccc4o3)c(Cl)c2)C1
InChIInChI=1S/C29H27Cl2N3O7.2C28H28F2N4O6.2C28H30N4O6.C26H25ClN4O5S/c1-2-39-24-9-10-34(27(24)29-32-14-17(41-29)7-8-26(36)37)25(35)12-16-11-21(31)22(13-20(16)30)33-28(38)19-15-40-23-6-4-3-5-18(19)23;2*1-3-38-21-10-11-34(25(21)27-31-14-18(39-27)7-9-23(36)37)22(35)12-16-5-8-19-26(24(16)30)40-28(32-19)33-20-13-17(29)6-4-15(20)2;2*1-3-36-22-12-13-32(26(22)27-29-16-19(37-27)9-11-25(34)35)24(33)15-18-8-10-21-23(14-18)38-28(31-21)30-20-7-5-4-6-17(20)2;1-35-16-12-21(25-28-13-17(37-25)7-9-24(33)34)31(14-16)23(32)11-15-6-8-19(18(27)10-15)29-26-30-20-4-2-3-5-22(20)36-26/h3-6,11,13-15,24,27H,2,7-10,12H2,1H3,(H,33,38)(H,36,37);2*4-6,8,13-14,21,25H,3,7,9-12H2,1-2H3,(H,32,33)(H,36,37);2*4-8,10,14,16,22,26H,3,9,11-13,15H2,1-2H3,(H,30,31)(H,34,35);2-6,8,10,13,16,21H,7,9,11-12,14H2,1H3,(H,29,30)(H,33,34)/t24-,27-;2*21-,25-;2*22-,26-;16-,21-/m000000/s1
InChIKeyRWXZMLNYCBVRLQ-HMMFUVHUSA-N
XLogP30.93
TPSA776.62 Ų
H-Bond Donors12
H-Bond Acceptors47
Rotatable Bonds59
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003287.72
LogP ≤ 530.93
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1047

Analyze 3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid)?
The IUPAC name of 3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid) (CID 160751908) is 3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid).
What is the SMILES notation for 3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid)?
The canonical SMILES for 3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid) is CCO[C@H]1CCN(C(=O)Cc2cc(Cl)c(NC(=O)c3coc4ccccc34)cc2Cl)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4ccccc4C)oc3c2)[C@@H]1c1ncc(CCC(=O)O)o1.CCO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4ccccc4C)oc3c2)[C@@H]1c1ncc(CCC(=O)O)o1.CO[C@H]1C[C@@H](c2ncc(CCC(=O)O)s2)N(C(=O)Cc2ccc(Nc3nc4ccccc4o3)c(Cl)c2)C1.
What is the InChIKey of 3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid)?
The InChIKey is RWXZMLNYCBVRLQ-HMMFUVHUSA-N. The full InChI is InChI=1S/C29H27Cl2N3O7.2C28H28F2N4O6.2C28H30N4O6.C26H25ClN4O5S/c1-2-39-24-9-10-34(27(24)29-32-14-17(41-29)7-8-26(36)37)25(35)12-16-11-21(31)22(13-20(16)30)33-28(38)19-15-40-23-6-4-3-5-18(19)23;2*1-3-38-21-10-11-34(25(21)27-31-14-18(39-27)7-9-23(36)37)22(35)12-16-5-8-19-26(24(16)30)40-28(32-19)33-20-13-17(29)6-4-15(20)2;2*1-3-36-22-12-13-32(26(22)27-29-16-19(37-27)9-11-25(34)35)24(33)15-18-8-10-21-23(14-18)38-28(31-21)30-20-7-5-4-6-17(20)2;1-35-16-12-21(25-28-13-17(37-25)7-9-24(33)34)31(14-16)23(32)11-15-6-8-19(18(27)10-15)29-26-30-20-4-2-3-5-22(20)36-26/h3-6,11,13-15,24,27H,2,7-10,12H2,1H3,(H,33,38)(H,36,37);2*4-6,8,13-14,21,25H,3,7,9-12H2,1-2H3,(H,32,33)(H,36,37);2*4-8,10,14,16,22,26H,3,9,11-13,15H2,1-2H3,(H,30,31)(H,34,35);2-6,8,10,13,16,21H,7,9,11-12,14H2,1H3,(H,29,30)(H,33,34)/t24-,27-;2*21-,25-;2*22-,26-;16-,21-/m000000/s1.
What are the key properties of 3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid)?
3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid) has a molecular weight of 3287.72 g/mol, XLogP of 30.93, 59 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,3S)-1-[2-[4-(1-benzofuran-3-carbonylamino)-2,5-dichlorophenyl]acetyl]-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid;3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid;bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid);bis(3-[2-[(2S,3S)-3-ethoxy-1-[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoic acid) is sourced from PubChem (CID 160751908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).