N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate

C207H155F12N27O23 — CID 157147380

IUPACN-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12.COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.COC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C33H24F2N4O4.C33H24F2N4O3.C32H23F2N5O2.C32H22F2N4O4.C32H22F2N4O3.C21H12F2N2O2.C12H14N2O3.C12H14N2O2/c1-43-33(42)29(15-21-17-36-26-13-11-24(40)16-25(21)26)39-32(41)20-6-12-27-28(14-20)38-31(19-4-9-23(35)10-5-19)30(37-27)18-2-7-22(34)8-3-18;1-42-33(41)29(17-22-18-36-26-5-3-2-4-25(22)26)39-32(40)21-10-15-27-28(16-21)38-31(20-8-13-24(35)14-9-20)30(37-27)19-6-11-23(34)12-7-19;33-22-10-5-18(6-11-22)29-30(19-7-12-23(34)13-8-19)38-27-15-20(9-14-26(27)37-29)32(41)39-28(31(35)40)16-21-17-36-25-4-2-1-3-24(21)25;33-21-6-1-17(2-7-21)29-30(18-3-8-22(34)9-4-18)37-27-13-19(5-11-26(27)36-29)31(40)38-28(32(41)42)14-20-16-35-25-12-10-23(39)15-24(20)25;33-22-10-5-18(6-11-22)29-30(19-7-12-23(34)13-8-19)37-27-15-20(9-14-26(27)36-29)31(39)38-28(32(40)41)16-21-17-35-25-4-2-1-3-24(21)25;22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)25-18-11-14(21(26)27)5-10-17(18)24-19;1-17-12(16)10(13)4-7-6-14-11-3-2-8(15)5-9(7)11;1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-14,16-17,29,36,40H,15H2,1H3,(H,39,41);2-16,18,29,36H,17H2,1H3,(H,39,40);1-15,17,28,36H,16H2,(H2,35,40)(H,39,41);1-13,15-16,28,35,39H,14H2,(H,38,40)(H,41,42);1-15,17,28,35H,16H2,(H,38,39)(H,40,41);1-11H,(H,26,27);2-3,5-6,10,14-15H,4,13H2,1H3;2-5,7,10,14H,6,13H2,1H3/t2*29-;3*28-;;2*10-/m00000.00/s1
InChIKeyAKWAVEPHSVQEJD-YGYCLLGFSA-N
MW3616.66 g/mol
LogP36.80
Rot. Bonds44

About N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate

N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate (PubChem CID 157147380) has the molecular formula C207H155F12N27O23 and a molecular weight of 3616.66 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
PubChem CID157147380
Molecular FormulaC207H155F12N27O23
Molecular Weight3616.66 g/mol
Exact Mass3614.16
IUPAC NameN-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12.COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.COC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C33H24F2N4O4.C33H24F2N4O3.C32H23F2N5O2.C32H22F2N4O4.C32H22F2N4O3.C21H12F2N2O2.C12H14N2O3.C12H14N2O2/c1-43-33(42)29(15-21-17-36-26-13-11-24(40)16-25(21)26)39-32(41)20-6-12-27-28(14-20)38-31(19-4-9-23(35)10-5-19)30(37-27)18-2-7-22(34)8-3-18;1-42-33(41)29(17-22-18-36-26-5-3-2-4-25(22)26)39-32(40)21-10-15-27-28(16-21)38-31(20-8-13-24(35)14-9-20)30(37-27)19-6-11-23(34)12-7-19;33-22-10-5-18(6-11-22)29-30(19-7-12-23(34)13-8-19)38-27-15-20(9-14-26(27)37-29)32(41)39-28(31(35)40)16-21-17-36-25-4-2-1-3-24(21)25;33-21-6-1-17(2-7-21)29-30(18-3-8-22(34)9-4-18)37-27-13-19(5-11-26(27)36-29)31(40)38-28(32(41)42)14-20-16-35-25-12-10-23(39)15-24(20)25;33-22-10-5-18(6-11-22)29-30(19-7-12-23(34)13-8-19)37-27-15-20(9-14-26(27)36-29)31(39)38-28(32(40)41)16-21-17-35-25-4-2-1-3-24(21)25;22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)25-18-11-14(21(26)27)5-10-17(18)24-19;1-17-12(16)10(13)4-7-6-14-11-3-2-8(15)5-9(7)11;1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-14,16-17,29,36,40H,15H2,1H3,(H,39,41);2-16,18,29,36H,17H2,1H3,(H,39,40);1-15,17,28,36H,16H2,(H2,35,40)(H,39,41);1-13,15-16,28,35,39H,14H2,(H,38,40)(H,41,42);1-15,17,28,35H,16H2,(H,38,39)(H,40,41);1-11H,(H,26,27);2-3,5-6,10,14-15H,4,13H2,1H3;2-5,7,10,14H,6,13H2,1H3/t2*29-;3*28-;;2*10-/m00000.00/s1
InChIKeyAKWAVEPHSVQEJD-YGYCLLGFSA-N
XLogP36.80
TPSA783.63 Ų
H-Bond Donors21
H-Bond Acceptors34
Rotatable Bonds44
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003616.66
LogP ≤ 536.80
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1034

Analyze N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 5276817
methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 5276818
(2S)-2-[(3-cyclohexyl-2-phenylquinoxaline-6-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 16725979
(2R)-2-[(3-cyclohexyl-2-phenylquinoxaline-6-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 156013007
(2S)-2-[[2,3-bis(4-methylphenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 44438357
(2S)-2-[(2-cyclohexyl-3-phenylquinoxaline-6-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 44438378
(2S)-2-[[2-cyclohexyl-3-(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 44438381
(2S)-2-[[3-cyclohexyl-2-(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 44438382
(2S)-2-[(2,3-diphenylquinoxaline-6-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 5276824
6-Quinoxalinecarboxamide, N-[(1S)-2-amino-1-[(5-hydroxy-1H-indol-3-yl)methyl]-2-oxoethyl]-2,3-bis(4-fluorophenyl)-
CID 5276819
methyl (2S)-2-[(2,3-diphenylquinoxaline-6-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 44438355
methyl (2S)-2-[[2,3-bis(4-methylphenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 44438356

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The IUPAC name of N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate (CID 157147380) is N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate is COC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12.COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.COC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The InChIKey is AKWAVEPHSVQEJD-YGYCLLGFSA-N. The full InChI is InChI=1S/C33H24F2N4O4.C33H24F2N4O3.C32H23F2N5O2.C32H22F2N4O4.C32H22F2N4O3.C21H12F2N2O2.C12H14N2O3.C12H14N2O2/c1-43-33(42)29(15-21-17-36-26-13-11-24(40)16-25(21)26)39-32(41)20-6-12-27-28(14-20)38-31(19-4-9-23(35)10-5-19)30(37-27)18-2-7-22(34)8-3-18;1-42-33(41)29(17-22-18-36-26-5-3-2-4-25(22)26)39-32(40)21-10-15-27-28(16-21)38-31(20-8-13-24(35)14-9-20)30(37-27)19-6-11-23(34)12-7-19;33-22-10-5-18(6-11-22)29-30(19-7-12-23(34)13-8-19)38-27-15-20(9-14-26(27)37-29)32(41)39-28(31(35)40)16-21-17-36-25-4-2-1-3-24(21)25;33-21-6-1-17(2-7-21)29-30(18-3-8-22(34)9-4-18)37-27-13-19(5-11-26(27)36-29)31(40)38-28(32(41)42)14-20-16-35-25-12-10-23(39)15-24(20)25;33-22-10-5-18(6-11-22)29-30(19-7-12-23(34)13-8-19)37-27-15-20(9-14-26(27)36-29)31(39)38-28(32(40)41)16-21-17-35-25-4-2-1-3-24(21)25;22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)25-18-11-14(21(26)27)5-10-17(18)24-19;1-17-12(16)10(13)4-7-6-14-11-3-2-8(15)5-9(7)11;1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-14,16-17,29,36,40H,15H2,1H3,(H,39,41);2-16,18,29,36H,17H2,1H3,(H,39,40);1-15,17,28,36H,16H2,(H2,35,40)(H,39,41);1-13,15-16,28,35,39H,14H2,(H,38,40)(H,41,42);1-15,17,28,35H,16H2,(H,38,39)(H,40,41);1-11H,(H,26,27);2-3,5-6,10,14-15H,4,13H2,1H3;2-5,7,10,14H,6,13H2,1H3/t2*29-;3*28-;;2*10-/m00000.00/s1.
What are the key properties of N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate has a molecular weight of 3616.66 g/mol, XLogP of 36.80, 44 rotatable bonds, 21 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid;methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate;methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 157147380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).