tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide

C121H155N17O20 — CID 159361349

IUPACtert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](c4nc(-c5ccccc5)co4)N(C(=O)[C@@H](CC(=O)[C@H](C)NC)C(C)(C)C)C3)cc2)C[C@H]1c1nc(-c2ccccc2)co1)C(C)(C)C.C[C@@H](C(=O)C[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](c4nc(-c5ccccc5)co4)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)cc2)C[C@H]1c1nc(-c2ccccc2)co1)C(C)(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C65H85N9O12.C56H70N8O8/c1-38(71(15)60(81)85-64(9,10)11)51(75)33-46(62(3,4)5)58(79)73-34-44(31-49(73)56-68-47(36-83-56)40-23-19-17-20-24-40)66-54(77)42-27-29-43(30-28-42)55(78)67-45-32-50(57-69-48(37-84-57)41-25-21-18-22-26-41)74(35-45)59(80)52(63(6,7)8)70-53(76)39(2)72(16)61(82)86-65(12,13)14;1-11-33(2)48(66)62-47(56(7,8)9)54(70)64-30-40(27-45(64)52-61-43(32-72-52)36-20-16-13-17-21-36)59-50(68)38-24-22-37(23-25-38)49(67)58-39-26-44(51-60-42(31-71-51)35-18-14-12-15-19-35)63(29-39)53(69)41(55(4,5)6)28-46(65)34(3)57-10/h17-30,36-39,44-46,49-50,52H,31-35H2,1-16H3,(H,66,77)(H,67,78)(H,70,76);12-25,31-34,39-41,44-45,47,57H,11,26-30H2,1-10H3,(H,58,67)(H,59,68)(H,62,66)/t38-,39-,44-,45-,46+,49-,50-,52+;33-,34+,39+,40+,41-,44+,45+,47-/m01/s1
InChIKeyLIORTVSGEACDSC-ICJJJDCZSA-N
MW2167.67 g/mol
LogP17.75
Rot. Bonds34

About tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide

tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide (PubChem CID 159361349) has the molecular formula C121H155N17O20 and a molecular weight of 2167.67 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
PubChem CID159361349
Molecular FormulaC121H155N17O20
Molecular Weight2167.67 g/mol
Exact Mass2166.16
IUPAC Nametert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](c4nc(-c5ccccc5)co4)N(C(=O)[C@@H](CC(=O)[C@H](C)NC)C(C)(C)C)C3)cc2)C[C@H]1c1nc(-c2ccccc2)co1)C(C)(C)C.C[C@@H](C(=O)C[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](c4nc(-c5ccccc5)co4)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)cc2)C[C@H]1c1nc(-c2ccccc2)co1)C(C)(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C65H85N9O12.C56H70N8O8/c1-38(71(15)60(81)85-64(9,10)11)51(75)33-46(62(3,4)5)58(79)73-34-44(31-49(73)56-68-47(36-83-56)40-23-19-17-20-24-40)66-54(77)42-27-29-43(30-28-42)55(78)67-45-32-50(57-69-48(37-84-57)41-25-21-18-22-26-41)74(35-45)59(80)52(63(6,7)8)70-53(76)39(2)72(16)61(82)86-65(12,13)14;1-11-33(2)48(66)62-47(56(7,8)9)54(70)64-30-40(27-45(64)52-61-43(32-72-52)36-20-16-13-17-21-36)59-50(68)38-24-22-37(23-25-38)49(67)58-39-26-44(51-60-42(31-71-51)35-18-14-12-15-19-35)63(29-39)53(69)41(55(4,5)6)28-46(65)34(3)57-10/h17-30,36-39,44-46,49-50,52H,31-35H2,1-16H3,(H,66,77)(H,67,78)(H,70,76);12-25,31-34,39-41,44-45,47,57H,11,26-30H2,1-10H3,(H,58,67)(H,59,68)(H,62,66)/t38-,39-,44-,45-,46+,49-,50-,52+;33-,34+,39+,40+,41-,44+,45+,47-/m01/s1
InChIKeyLIORTVSGEACDSC-ICJJJDCZSA-N
XLogP17.75
TPSA465.21 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002167.67
LogP ≤ 517.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide?
The IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide (CID 159361349) is tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](c4nc(-c5ccccc5)co4)N(C(=O)[C@@H](CC(=O)[C@H](C)NC)C(C)(C)C)C3)cc2)C[C@H]1c1nc(-c2ccccc2)co1)C(C)(C)C.C[C@@H](C(=O)C[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](c4nc(-c5ccccc5)co4)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)cc2)C[C@H]1c1nc(-c2ccccc2)co1)C(C)(C)C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide?
The InChIKey is LIORTVSGEACDSC-ICJJJDCZSA-N. The full InChI is InChI=1S/C65H85N9O12.C56H70N8O8/c1-38(71(15)60(81)85-64(9,10)11)51(75)33-46(62(3,4)5)58(79)73-34-44(31-49(73)56-68-47(36-83-56)40-23-19-17-20-24-40)66-54(77)42-27-29-43(30-28-42)55(78)67-45-32-50(57-69-48(37-84-57)41-25-21-18-22-26-41)74(35-45)59(80)52(63(6,7)8)70-53(76)39(2)72(16)61(82)86-65(12,13)14;1-11-33(2)48(66)62-47(56(7,8)9)54(70)64-30-40(27-45(64)52-61-43(32-72-52)36-20-16-13-17-21-36)59-50(68)38-24-22-37(23-25-38)49(67)58-39-26-44(51-60-42(31-71-51)35-18-14-12-15-19-35)63(29-39)53(69)41(55(4,5)6)28-46(65)34(3)57-10/h17-30,36-39,44-46,49-50,52H,31-35H2,1-16H3,(H,66,77)(H,67,78)(H,70,76);12-25,31-34,39-41,44-45,47,57H,11,26-30H2,1-10H3,(H,58,67)(H,59,68)(H,62,66)/t38-,39-,44-,45-,46+,49-,50-,52+;33-,34+,39+,40+,41-,44+,45+,47-/m01/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide?
tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide has a molecular weight of 2167.67 g/mol, XLogP of 17.75, 34 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]carbamoyl]benzoyl]amino]-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;1-N-[(3S,5S)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-5-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 159361349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).