(1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

C118H120F9N15O25S3 — CID 158283878

IUPAC(1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
SMILESCC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3c4cc(F)ccc4nc4c3oc3cc(F)ccc34)CN2C1=O.O=C(N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3c4cc(F)ccc4nc4c3oc3ccc(F)cc34)CN2C1=O)OC1CCCC1.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCC[C@H](NC(=O)C(F)(F)F)C(=O)N2C[C@H](Oc3c4cc(F)ccc4nc4c3oc3ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C42H45F2N5O9S.C38H36F5N5O8S.C38H39F2N5O8S/c43-24-12-16-31-29(18-24)36(37-35(45-31)30-19-25(44)13-17-34(30)58-37)56-27-20-33-38(50)47-42(40(52)48-59(54,55)28-14-15-28)21-23(42)8-4-2-1-3-5-11-32(39(51)49(33)22-27)46-41(53)57-26-9-6-7-10-26;39-20-8-12-26-24(14-20)31(32-30(44-26)25-15-21(40)9-13-29(25)56-32)55-22-16-28-33(49)46-37(35(51)47-57(53,54)23-10-11-23)17-19(37)6-4-2-1-3-5-7-27(34(50)48(28)18-22)45-36(52)38(41,42)43;1-20(46)41-29-8-6-4-2-3-5-7-21-18-38(21,37(49)44-54(50,51)25-11-12-25)43-35(47)30-17-24(19-45(30)36(29)48)52-33-27-15-22(39)10-14-28(27)42-32-26-13-9-23(40)16-31(26)53-34(32)33/h4,8,12-13,16-19,23,26-28,32-33H,1-3,5-7,9-11,14-15,20-22H2,(H,46,53)(H,47,50)(H,48,52);4,6,8-9,12-15,19,22-23,27-28H,1-3,5,7,10-11,16-18H2,(H,45,52)(H,46,49)(H,47,51);5,7,9-10,13-16,21,24-25,29-30H,2-4,6,8,11-12,17-19H2,1H3,(H,41,46)(H,43,47)(H,44,49)/b8-4-;6-4-;7-5-/t23-,27-,32+,33+,42-;19-,22-,27+,28+,37-;21-,24-,29+,30+,38-/m111/s1
InChIKeyGKNNZEROXSNUMG-OAGNMAPQSA-N
MW2415.52 g/mol
LogP14.88
Rot. Bonds19

About (1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

(1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (PubChem CID 158283878) has the molecular formula C118H120F9N15O25S3 and a molecular weight of 2415.52 g/mol. Its IUPAC name is (1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.

Molecular Properties

Compound Name(1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
PubChem CID158283878
Molecular FormulaC118H120F9N15O25S3
Molecular Weight2415.52 g/mol
Exact Mass2413.76
IUPAC Name(1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
SMILESCC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3c4cc(F)ccc4nc4c3oc3cc(F)ccc34)CN2C1=O.O=C(N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3c4cc(F)ccc4nc4c3oc3ccc(F)cc34)CN2C1=O)OC1CCCC1.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCC[C@H](NC(=O)C(F)(F)F)C(=O)N2C[C@H](Oc3c4cc(F)ccc4nc4c3oc3ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C42H45F2N5O9S.C38H36F5N5O8S.C38H39F2N5O8S/c43-24-12-16-31-29(18-24)36(37-35(45-31)30-19-25(44)13-17-34(30)58-37)56-27-20-33-38(50)47-42(40(52)48-59(54,55)28-14-15-28)21-23(42)8-4-2-1-3-5-11-32(39(51)49(33)22-27)46-41(53)57-26-9-6-7-10-26;39-20-8-12-26-24(14-20)31(32-30(44-26)25-15-21(40)9-13-29(25)56-32)55-22-16-28-33(49)46-37(35(51)47-57(53,54)23-10-11-23)17-19(37)6-4-2-1-3-5-7-27(34(50)48(28)18-22)45-36(52)38(41,42)43;1-20(46)41-29-8-6-4-2-3-5-7-21-18-38(21,37(49)44-54(50,51)25-11-12-25)43-35(47)30-17-24(19-45(30)36(29)48)52-33-27-15-22(39)10-14-28(27)42-32-26-13-9-23(40)16-31(26)53-34(32)33/h4,8,12-13,16-19,23,26-28,32-33H,1-3,5-7,9-11,14-15,20-22H2,(H,46,53)(H,47,50)(H,48,52);4,6,8-9,12-15,19,22-23,27-28H,1-3,5,7,10-11,16-18H2,(H,45,52)(H,46,49)(H,47,51);5,7,9-10,13-16,21,24-25,29-30H,2-4,6,8,11-12,17-19H2,1H3,(H,41,46)(H,43,47)(H,44,49)/b8-4-;6-4-;7-5-/t23-,27-,32+,33+,42-;19-,22-,27+,28+,37-;21-,24-,29+,30+,38-/m111/s1
InChIKeyGKNNZEROXSNUMG-OAGNMAPQSA-N
XLogP14.88
TPSA540.26 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002415.52
LogP ≤ 514.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The IUPAC name of (1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (CID 158283878) is (1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.
What is the SMILES notation for (1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The canonical SMILES for (1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is CC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3c4cc(F)ccc4nc4c3oc3cc(F)ccc34)CN2C1=O.O=C(N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3c4cc(F)ccc4nc4c3oc3ccc(F)cc34)CN2C1=O)OC1CCCC1.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCC[C@H](NC(=O)C(F)(F)F)C(=O)N2C[C@H](Oc3c4cc(F)ccc4nc4c3oc3ccc(F)cc34)C[C@@H]12.
What is the InChIKey of (1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The InChIKey is GKNNZEROXSNUMG-OAGNMAPQSA-N. The full InChI is InChI=1S/C42H45F2N5O9S.C38H36F5N5O8S.C38H39F2N5O8S/c43-24-12-16-31-29(18-24)36(37-35(45-31)30-19-25(44)13-17-34(30)58-37)56-27-20-33-38(50)47-42(40(52)48-59(54,55)28-14-15-28)21-23(42)8-4-2-1-3-5-11-32(39(51)49(33)22-27)46-41(53)57-26-9-6-7-10-26;39-20-8-12-26-24(14-20)31(32-30(44-26)25-15-21(40)9-13-29(25)56-32)55-22-16-28-33(49)46-37(35(51)47-57(53,54)23-10-11-23)17-19(37)6-4-2-1-3-5-7-27(34(50)48(28)18-22)45-36(52)38(41,42)43;1-20(46)41-29-8-6-4-2-3-5-7-21-18-38(21,37(49)44-54(50,51)25-11-12-25)43-35(47)30-17-24(19-45(30)36(29)48)52-33-27-15-22(39)10-14-28(27)42-32-26-13-9-23(40)16-31(26)53-34(32)33/h4,8,12-13,16-19,23,26-28,32-33H,1-3,5-7,9-11,14-15,20-22H2,(H,46,53)(H,47,50)(H,48,52);4,6,8-9,12-15,19,22-23,27-28H,1-3,5,7,10-11,16-18H2,(H,45,52)(H,46,49)(H,47,51);5,7,9-10,13-16,21,24-25,29-30H,2-4,6,8,11-12,17-19H2,1H3,(H,41,46)(H,43,47)(H,44,49)/b8-4-;6-4-;7-5-/t23-,27-,32+,33+,42-;19-,22-,27+,28+,37-;21-,24-,29+,30+,38-/m111/s1.
What are the key properties of (1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
(1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide has a molecular weight of 2415.52 g/mol, XLogP of 14.88, 19 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6S,7Z,14S,18R)-14-acetamido-N-cyclopropylsulfonyl-18-[(2,8-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[(2,7-difluoro-[1]benzofuro[3,2-b]quinolin-11-yl)oxy]-2,15-dioxo-14-[(2,2,2-trifluoroacetyl)amino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is sourced from PubChem (CID 158283878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).