(2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C105H121N13O13 — CID 158666152

IUPAC(2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C([C@@H]6CC7(CN6C(=O)[C@@H](NC(=O)OC)C(C)C)OCCO7)C5)cc4)ccc3c2)[nH]1)c1ccccc1.CCN(CC)[C@@H](C(=O)O)c1ccccc1.COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1C1=NC=C(c3ccc(-c4ccc5cc(-c6cnc(C7CCCC7)[nH]6)ccc5c4)cc3)C1)OCCO2)C(C)C
InChIInChI=1S/C52H59N7O6.C41H45N5O5.C12H17NO2/c1-6-57(7-2)47(36-12-9-8-10-13-36)50(61)58-23-11-14-44(58)48-54-31-43(55-48)40-22-21-38-26-37(19-20-39(38)27-40)34-15-17-35(18-16-34)41-28-42(53-30-41)45-29-52(64-24-25-65-52)32-59(45)49(60)46(33(3)4)56-51(62)63-5;1-25(2)37(45-40(48)49-3)39(47)46-24-41(50-16-17-51-41)21-36(46)34-20-33(22-42-34)27-10-8-26(9-11-27)29-12-13-31-19-32(15-14-30(31)18-29)35-23-43-38(44-35)28-6-4-5-7-28;1-3-13(4-2)11(12(14)15)10-8-6-5-7-9-10/h8-10,12-13,15-22,26-27,30-31,33,44-47H,6-7,11,14,23-25,28-29,32H2,1-5H3,(H,54,55)(H,56,62);8-15,18-19,22-23,25,28,36-37H,4-7,16-17,20-21,24H2,1-3H3,(H,43,44)(H,45,48);5-9,11H,3-4H2,1-2H3,(H,14,15)/t44-,45-,46-,47+;36-,37-;11-/m001/s1
InChIKeyIDJMEXJCDOATRC-YGUWGDDPSA-N
MW1773.20 g/mol
LogP18.17
Rot. Bonds26

About (2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate

(2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 158666152) has the molecular formula C105H121N13O13 and a molecular weight of 1773.20 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID158666152
Molecular FormulaC105H121N13O13
Molecular Weight1773.20 g/mol
Exact Mass1771.92
IUPAC Name(2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C([C@@H]6CC7(CN6C(=O)[C@@H](NC(=O)OC)C(C)C)OCCO7)C5)cc4)ccc3c2)[nH]1)c1ccccc1.CCN(CC)[C@@H](C(=O)O)c1ccccc1.COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1C1=NC=C(c3ccc(-c4ccc5cc(-c6cnc(C7CCCC7)[nH]6)ccc5c4)cc3)C1)OCCO2)C(C)C
InChIInChI=1S/C52H59N7O6.C41H45N5O5.C12H17NO2/c1-6-57(7-2)47(36-12-9-8-10-13-36)50(61)58-23-11-14-44(58)48-54-31-43(55-48)40-22-21-38-26-37(19-20-39(38)27-40)34-15-17-35(18-16-34)41-28-42(53-30-41)45-29-52(64-24-25-65-52)32-59(45)49(60)46(33(3)4)56-51(62)63-5;1-25(2)37(45-40(48)49-3)39(47)46-24-41(50-16-17-51-41)21-36(46)34-20-33(22-42-34)27-10-8-26(9-11-27)29-12-13-31-19-32(15-14-30(31)18-29)35-23-43-38(44-35)28-6-4-5-7-28;1-3-13(4-2)11(12(14)15)10-8-6-5-7-9-10/h8-10,12-13,15-22,26-27,30-31,33,44-47H,6-7,11,14,23-25,28-29,32H2,1-5H3,(H,54,55)(H,56,62);8-15,18-19,22-23,25,28,36-37H,4-7,16-17,20-21,24H2,1-3H3,(H,43,44)(H,45,48);5-9,11H,3-4H2,1-2H3,(H,14,15)/t44-,45-,46-,47+;36-,37-;11-/m001/s1
InChIKeyIDJMEXJCDOATRC-YGUWGDDPSA-N
XLogP18.17
TPSA300.37 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001773.20
LogP ≤ 518.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze (2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[(2S)-1-[(8S)-8-[5-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;molecular hydrogen
CID 160919736
methyl N-[(1R)-2-[(2S)-2-[5-[4-[6-[2-[(8S)-7-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67682160
methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[(2S)-1-[(2R)-2-[cyclopropyl(ethyl)amino]-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67681833
methyl N-[1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46221717
methyl N-[(2S)-1-[(2S)-2-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]anthracen-2-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 147528941
methyl N-[(1R)-2-[(2S,4S)-2-[4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-4-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 148756209
methyl N-[(2S)-1-[(2S)-2-[7-[6-[2-[(8S)-7-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]-3H-pyrrol-4-yl]naphthalen-2-yl]-4-oxo-3H-quinazolin-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161421138
methyl N-[(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 160661956
methyl N-[(1S)-2-[(2S)-2-[5-[6-[4-[2-[(2R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]piperidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 129108491
[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(8S)-7-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 71143229
methyl N-[2-[(2S)-2-[5-[6-[4-[2-[(2S,4S)-4-(difluoromethoxy)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 147096193
methyl N-[(1R)-2-[(2S)-2-[5-[6-[4-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 147728343

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of (2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 158666152) is (2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for (2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for (2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate is CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C5=CN=C([C@@H]6CC7(CN6C(=O)[C@@H](NC(=O)OC)C(C)C)OCCO7)C5)cc4)ccc3c2)[nH]1)c1ccccc1.CCN(CC)[C@@H](C(=O)O)c1ccccc1.COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1C1=NC=C(c3ccc(-c4ccc5cc(-c6cnc(C7CCCC7)[nH]6)ccc5c4)cc3)C1)OCCO2)C(C)C.
What is the InChIKey of (2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is IDJMEXJCDOATRC-YGUWGDDPSA-N. The full InChI is InChI=1S/C52H59N7O6.C41H45N5O5.C12H17NO2/c1-6-57(7-2)47(36-12-9-8-10-13-36)50(61)58-23-11-14-44(58)48-54-31-43(55-48)40-22-21-38-26-37(19-20-39(38)27-40)34-15-17-35(18-16-34)41-28-42(53-30-41)45-29-52(64-24-25-65-52)32-59(45)49(60)46(33(3)4)56-51(62)63-5;1-25(2)37(45-40(48)49-3)39(47)46-24-41(50-16-17-51-41)21-36(46)34-20-33(22-42-34)27-10-8-26(9-11-27)29-12-13-31-19-32(15-14-30(31)18-29)35-23-43-38(44-35)28-6-4-5-7-28;1-3-13(4-2)11(12(14)15)10-8-6-5-7-9-10/h8-10,12-13,15-22,26-27,30-31,33,44-47H,6-7,11,14,23-25,28-29,32H2,1-5H3,(H,54,55)(H,56,62);8-15,18-19,22-23,25,28,36-37H,4-7,16-17,20-21,24H2,1-3H3,(H,43,44)(H,45,48);5-9,11H,3-4H2,1-2H3,(H,14,15)/t44-,45-,46-,47+;36-,37-;11-/m001/s1.
What are the key properties of (2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
(2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 1773.20 g/mol, XLogP of 18.17, 26 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(8S)-8-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 158666152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).