benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate

C145H199F3N14O36 — CID 167609797

IUPACbenzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate
SMILESCC(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)CN(C[C@@H]1CCNC1=O)C(=O)OCc1ccccc1.CC(C)C[C@H](CC(=O)OC(C)(C)C)C(O)CN(C[C@@H]1CCNC1=O)C(=O)OCc1ccccc1.CC(C)C[C@H](CC(=O)OC(C)(C)C)C(O)CNC[C@@H]1CCNC1=O.CC(C)C[C@H]([NH3+])C(=O)CN(C[C@@H]1CCNC1=O)C(=O)OCc1ccccc1.COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)CN(C[C@@H]3CCNC3=O)C(=O)OCc3ccccc3)cc12.COc1cccc2[nH]c(C(=O)O)cc12.O=C(OCc1ccccc1)ON1C(=O)CCC1=O.O=C([O-])C(F)(F)F
InChIInChI=1S/C31H37N3O6.C26H40N2O6.C26H38N2O6.C20H29N3O4.C18H34N2O4.C12H11NO5.C10H9NO3.C2HF3O2/c1-20(2)14-23(15-27(35)26-16-24-25(33-26)10-7-11-29(24)39-3)28(36)18-34(17-22-12-13-32-30(22)37)31(38)40-19-21-8-5-4-6-9-21;2*1-18(2)13-21(14-23(30)34-26(3,4)5)22(29)16-28(15-20-11-12-27-24(20)31)25(32)33-17-19-9-7-6-8-10-19;1-14(2)10-17(21)18(24)12-23(11-16-8-9-22-19(16)25)20(26)27-13-15-6-4-3-5-7-15;1-12(2)8-14(9-16(22)24-18(3,4)5)15(21)11-19-10-13-6-7-20-17(13)23;14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9;1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13;3-2(4,5)1(6)7/h4-11,16,20,22-23,33H,12-15,17-19H2,1-3H3,(H,32,37);6-10,18,20-22,29H,11-17H2,1-5H3,(H,27,31);6-10,18,20-21H,11-17H2,1-5H3,(H,27,31);3-7,14,16-17H,8-13,21H2,1-2H3,(H,22,25);12-15,19,21H,6-11H2,1-5H3,(H,20,23);1-5H,6-8H2;2-5,11H,1H3,(H,12,13);(H,6,7)/t22-,23+;20-,21+,22?;20-,21+;16-,17-;13-,14+,15?;;;/m00000.../s1
InChIKeyRRMVFBFFACVFAN-PSLUPNQOSA-N
MW2771.24 g/mol
LogP17.03
Rot. Bonds58

About benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate

benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate (PubChem CID 167609797) has the molecular formula C145H199F3N14O36 and a molecular weight of 2771.24 g/mol. Its IUPAC name is benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namebenzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate
PubChem CID167609797
Molecular FormulaC145H199F3N14O36
Molecular Weight2771.24 g/mol
Exact Mass2769.41
IUPAC Namebenzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate
SMILESCC(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)CN(C[C@@H]1CCNC1=O)C(=O)OCc1ccccc1.CC(C)C[C@H](CC(=O)OC(C)(C)C)C(O)CN(C[C@@H]1CCNC1=O)C(=O)OCc1ccccc1.CC(C)C[C@H](CC(=O)OC(C)(C)C)C(O)CNC[C@@H]1CCNC1=O.CC(C)C[C@H]([NH3+])C(=O)CN(C[C@@H]1CCNC1=O)C(=O)OCc1ccccc1.COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)CN(C[C@@H]3CCNC3=O)C(=O)OCc3ccccc3)cc12.COc1cccc2[nH]c(C(=O)O)cc12.O=C(OCc1ccccc1)ON1C(=O)CCC1=O.O=C([O-])C(F)(F)F
InChIInChI=1S/C31H37N3O6.C26H40N2O6.C26H38N2O6.C20H29N3O4.C18H34N2O4.C12H11NO5.C10H9NO3.C2HF3O2/c1-20(2)14-23(15-27(35)26-16-24-25(33-26)10-7-11-29(24)39-3)28(36)18-34(17-22-12-13-32-30(22)37)31(38)40-19-21-8-5-4-6-9-21;2*1-18(2)13-21(14-23(30)34-26(3,4)5)22(29)16-28(15-20-11-12-27-24(20)31)25(32)33-17-19-9-7-6-8-10-19;1-14(2)10-17(21)18(24)12-23(11-16-8-9-22-19(16)25)20(26)27-13-15-6-4-3-5-7-15;1-12(2)8-14(9-16(22)24-18(3,4)5)15(21)11-19-10-13-6-7-20-17(13)23;14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9;1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13;3-2(4,5)1(6)7/h4-11,16,20,22-23,33H,12-15,17-19H2,1-3H3,(H,32,37);6-10,18,20-22,29H,11-17H2,1-5H3,(H,27,31);6-10,18,20-21H,11-17H2,1-5H3,(H,27,31);3-7,14,16-17H,8-13,21H2,1-2H3,(H,22,25);12-15,19,21H,6-11H2,1-5H3,(H,20,23);1-5H,6-8H2;2-5,11H,1H3,(H,12,13);(H,6,7)/t22-,23+;20-,21+,22?;20-,21+;16-,17-;13-,14+,15?;;;/m00000.../s1
InChIKeyRRMVFBFFACVFAN-PSLUPNQOSA-N
XLogP17.03
TPSA691.35 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds58
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002771.24
LogP ≤ 517.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate?
The IUPAC name of benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate (CID 167609797) is benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate?
The canonical SMILES for benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate is CC(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)CN(C[C@@H]1CCNC1=O)C(=O)OCc1ccccc1.CC(C)C[C@H](CC(=O)OC(C)(C)C)C(O)CN(C[C@@H]1CCNC1=O)C(=O)OCc1ccccc1.CC(C)C[C@H](CC(=O)OC(C)(C)C)C(O)CNC[C@@H]1CCNC1=O.CC(C)C[C@H]([NH3+])C(=O)CN(C[C@@H]1CCNC1=O)C(=O)OCc1ccccc1.COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)CN(C[C@@H]3CCNC3=O)C(=O)OCc3ccccc3)cc12.COc1cccc2[nH]c(C(=O)O)cc12.O=C(OCc1ccccc1)ON1C(=O)CCC1=O.O=C([O-])C(F)(F)F.
What is the InChIKey of benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate?
The InChIKey is RRMVFBFFACVFAN-PSLUPNQOSA-N. The full InChI is InChI=1S/C31H37N3O6.C26H40N2O6.C26H38N2O6.C20H29N3O4.C18H34N2O4.C12H11NO5.C10H9NO3.C2HF3O2/c1-20(2)14-23(15-27(35)26-16-24-25(33-26)10-7-11-29(24)39-3)28(36)18-34(17-22-12-13-32-30(22)37)31(38)40-19-21-8-5-4-6-9-21;2*1-18(2)13-21(14-23(30)34-26(3,4)5)22(29)16-28(15-20-11-12-27-24(20)31)25(32)33-17-19-9-7-6-8-10-19;1-14(2)10-17(21)18(24)12-23(11-16-8-9-22-19(16)25)20(26)27-13-15-6-4-3-5-7-15;1-12(2)8-14(9-16(22)24-18(3,4)5)15(21)11-19-10-13-6-7-20-17(13)23;14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9;1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13;3-2(4,5)1(6)7/h4-11,16,20,22-23,33H,12-15,17-19H2,1-3H3,(H,32,37);6-10,18,20-22,29H,11-17H2,1-5H3,(H,27,31);6-10,18,20-21H,11-17H2,1-5H3,(H,27,31);3-7,14,16-17H,8-13,21H2,1-2H3,(H,22,25);12-15,19,21H,6-11H2,1-5H3,(H,20,23);1-5H,6-8H2;2-5,11H,1H3,(H,12,13);(H,6,7)/t22-,23+;20-,21+,22?;20-,21+;16-,17-;13-,14+,15?;;;/m00000.../s1.
What are the key properties of benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate?
benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate has a molecular weight of 2771.24 g/mol, XLogP of 17.03, 58 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl N-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxohexyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-3-[1-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]ethyl]-5-methylhexanoate;tert-butyl (3R)-5-methyl-3-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]acetyl]hexanoate;4-methoxy-1H-indole-2-carboxylic acid;[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-phenylmethoxycarbonylamino]hexan-3-yl]azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 167609797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).