(2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid

C214H311N19O39 — CID 157106751

IUPAC(2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid
SMILESCCCCCC(CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O.CCCCC[C@H](CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H]1CN(OC)C1=O.CCCCC[C@H](CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H]1CN(OC)C1=O.CCCCc1ccc(-c2ccc(C(=O)C[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H]3CN(OC)C3=O)cc2)cc1.CON1C[C@@H](CC(=O)OCc2ccccc2)C1=O.CON1C[C@@H](N)C1=O.CON1C[C@@H](N)C1=O.O=C(C[C@@H]1CN(O)C1=O)OCc1ccccc1
InChIInChI=1S/2C47H69N3O7.C45H67N5O7.C42H62N2O6.C13H15NO4.C12H13NO4.2C4H8N2O2/c2*1-8-11-14-17-38(29-42(51)37-25-23-36(24-26-37)35-21-19-34(20-22-35)16-13-10-3)46(55)48-40(18-15-12-9-2)43(52)28-33(6)45(54)49-41(27-32(4)5)44(53)30-39-31-50(57-7)47(39)56;1-6-7-12-32-15-17-33(18-16-32)34-19-21-35(22-20-34)40(51)27-36(13-8-10-23-46)44(55)48-38(14-9-11-24-47)41(52)26-31(4)43(54)49-39(25-30(2)3)42(53)28-37-29-50(57-5)45(37)56;1-7-10-13-16-35(28-38(45)34-24-22-33(23-25-34)32-20-18-31(19-21-32)15-12-9-3)41(48)43-36(17-14-11-8-2)39(46)27-30(6)40(47)44-37(42(49)50)26-29(4)5;1-17-14-8-11(13(14)16)7-12(15)18-9-10-5-3-2-4-6-10;14-11(6-10-7-13(16)12(10)15)17-8-9-4-2-1-3-5-9;2*1-8-6-2-3(5)4(6)7/h2*19-26,32-33,38-41H,8-18,27-31H2,1-7H3,(H,48,55)(H,49,54);15-22,30-31,36-39H,6-14,23-29,46-47H2,1-5H3,(H,48,55)(H,49,54);18-25,29-30,35-37H,7-17,26-28H2,1-6H3,(H,43,48)(H,44,47)(H,49,50);2-6,11H,7-9H2,1H3;1-5,10,16H,6-8H2;2*3H,2,5H2,1H3/t2*33-,38-,39-,40+,41+;31-,36-,37-,38+,39+;30-,35?,36+,37+;11-;10-;2*3-/m11111111/s1
InChIKeyAGJRCHIAUNFXMV-PPQCNGFOSA-N
MW3773.94 g/mol
LogP31.29
Rot. Bonds120

About (2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid

(2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid (PubChem CID 157106751) has the molecular formula C214H311N19O39 and a molecular weight of 3773.94 g/mol. Its IUPAC name is (2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid
PubChem CID157106751
Molecular FormulaC214H311N19O39
Molecular Weight3773.94 g/mol
Exact Mass3771.29
IUPAC Name(2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid
SMILESCCCCCC(CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O.CCCCC[C@H](CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H]1CN(OC)C1=O.CCCCC[C@H](CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H]1CN(OC)C1=O.CCCCc1ccc(-c2ccc(C(=O)C[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H]3CN(OC)C3=O)cc2)cc1.CON1C[C@@H](CC(=O)OCc2ccccc2)C1=O.CON1C[C@@H](N)C1=O.CON1C[C@@H](N)C1=O.O=C(C[C@@H]1CN(O)C1=O)OCc1ccccc1
InChIInChI=1S/2C47H69N3O7.C45H67N5O7.C42H62N2O6.C13H15NO4.C12H13NO4.2C4H8N2O2/c2*1-8-11-14-17-38(29-42(51)37-25-23-36(24-26-37)35-21-19-34(20-22-35)16-13-10-3)46(55)48-40(18-15-12-9-2)43(52)28-33(6)45(54)49-41(27-32(4)5)44(53)30-39-31-50(57-7)47(39)56;1-6-7-12-32-15-17-33(18-16-32)34-19-21-35(22-20-34)40(51)27-36(13-8-10-23-46)44(55)48-38(14-9-11-24-47)41(52)26-31(4)43(54)49-39(25-30(2)3)42(53)28-37-29-50(57-5)45(37)56;1-7-10-13-16-35(28-38(45)34-24-22-33(23-25-34)32-20-18-31(19-21-32)15-12-9-3)41(48)43-36(17-14-11-8-2)39(46)27-30(6)40(47)44-37(42(49)50)26-29(4)5;1-17-14-8-11(13(14)16)7-12(15)18-9-10-5-3-2-4-6-10;14-11(6-10-7-13(16)12(10)15)17-8-9-4-2-1-3-5-9;2*1-8-6-2-3(5)4(6)7/h2*19-26,32-33,38-41H,8-18,27-31H2,1-7H3,(H,48,55)(H,49,54);15-22,30-31,36-39H,6-14,23-29,46-47H2,1-5H3,(H,48,55)(H,49,54);18-25,29-30,35-37H,7-17,26-28H2,1-6H3,(H,43,48)(H,44,47)(H,49,50);2-6,11H,7-9H2,1H3;1-5,10,16H,6-8H2;2*3H,2,5H2,1H3/t2*33-,38-,39-,40+,41+;31-,36-,37-,38+,39+;30-,35?,36+,37+;11-;10-;2*3-/m11111111/s1
InChIKeyAGJRCHIAUNFXMV-PPQCNGFOSA-N
XLogP31.29
TPSA832.33 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds120
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003773.94
LogP ≤ 531.29
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Analyze (2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid 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

benzyl (3S)-3-[[(2S,5R)-6-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-5-methyl-3,6-dioxo-1-phenylhexan-2-yl]carbamoyl]-4-methylpentanoate;[4-methoxy-1-[[(2R,5S)-5-[[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]amino]-2-methyl-4-oxo-6-phenylhexanoyl]amino]-4-oxobutyl]-methylborinic acid;[[(2R,5S)-5-[[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]amino]-2-methyl-4-oxo-6-phenylhexanoyl]amino]methyl-methylborinic acid;methyl (3S)-4-methyl-3-[[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-[(1,1,1-trifluoro-2-hydroxy-6-oxoheptan-3-yl)amino]hexan-2-yl]carbamoyl]pentanoate;methyl-[[[(2R,5S)-2-methyl-4-oxo-5-[[(2S)-4-oxo-4-(4-phenylphenyl)-2-propan-2-ylbutanoyl]amino]-6-phenylhexanoyl]amino]methyl]borinic acid
CID 160167854
benzyl (3S)-3-[[(2S,5R)-6-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-5-methyl-3,6-dioxo-1-phenylhexan-2-yl]carbamoyl]-4-methylpentanoate;[4-methoxy-1-[[(2R,5S)-5-[[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]amino]-2-methyl-4-oxo-6-phenylhexanoyl]amino]-4-oxobutyl]-methylborinic acid;[[(2R,5S)-5-[[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]amino]-2-methyl-4-oxo-6-phenylhexanoyl]amino]methyl-methylborinic acid;methyl (3S)-4-methyl-3-[[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-[(1,1,1-trifluoro-2-hydroxy-6-oxoheptan-3-yl)amino]hexan-2-yl]carbamoyl]pentanoate;[[(2R,5S)-2-methyl-4-oxo-5-[[(2S)-4-oxo-4-(4-phenylphenyl)-2-propan-2-ylbutanoyl]amino]-6-phenylhexanoyl]amino]methylboronic acid
CID 161115675
benzyl 7-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoyl]amino]heptanoate;benzyl 7-[[(2R)-2-[[(3S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoyl]amino]-3-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoyl]amino]heptanoate;(3R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 157164604
N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;(3R)-3-amino-1-methoxyazetidin-2-one;bis(benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate);(2S)-2-[[(2R)-4-[(2S)-1-[(2S)-2-[[4-(4-butylphenyl)benzoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidin-2-yl]-2-methyl-4-oxobutanoyl]amino]heptanoic acid
CID 157470061
(3R)-3-amino-1-methoxyazetidin-2-one;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;(2S)-2-[[(2R)-4-[(2S)-1-[(2S)-2-[[4-(4-butylphenyl)benzoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidin-2-yl]-2-methyl-4-oxobutanoyl]amino]heptanoic acid
CID 157486631
2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(3S)-1-benzoyloxy-7-[2-[2-(methylamino)ethoxy]ethoxy]-1,4-dioxoheptan-3-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(3S)-1-benzoyloxy-7-[2-[2-(methylamino)ethoxy]ethoxy]-1,4-dioxoheptan-3-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;(2S)-2-[[2-[[(3S)-2,5-dioxohexan-3-yl]amino]cyclobutyl]amino]-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]-4-oxopentanamide;molecular hydrogen
CID 157513862
benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-(2-methoxy-2-oxoethoxy)-2-oxoazetidin-3-yl]acetate;(2S)-2-[[(2R)-4-[(2S)-1-[(2S)-2-[[4-(4-butylphenyl)benzoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidin-2-yl]-2-methyl-4-oxobutanoyl]amino]heptanoic acid;methyl 2-[(3R)-3-[(3S)-7-amino-3-[[(2R)-4-[(2S)-1-[(2S)-6-amino-2-[[4-(4-butylphenyl)benzoyl]amino]hexanoyl]pyrrolidin-2-yl]-2-methyl-4-oxobutanoyl]amino]-2-oxoheptyl]-2-oxoazetidin-1-yl]oxyacetate;bis(methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]oxyacetate);methyl 2-bromoacetate;bis(methyl 2-[(3R)-3-[(3S)-3-[[(2R)-4-[(2S)-1-[(2S)-2-[[4-(4-butylphenyl)benzoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidin-2-yl]-2-methyl-4-oxobutanoyl]amino]-2-oxooctyl]-2-oxoazetidin-1-yl]oxyacetate)
CID 157974107
(3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid
CID 158289313
2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate
CID 158433721
N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium
CID 158491699
2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;(3S)-3-[[2-[[(2S)-3-carboxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxopropan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;(2S)-2-[[2-[[(3S)-2,5-dioxohexan-3-yl]amino]cyclobutyl]amino]-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]-4-oxopentanamide;molecular hydrogen
CID 158522331
(3S)-3-[[(4R,7R,10R,13R,16R,19R)-22-(hydroxyamino)-19-[[(2R)-5-(hydroxyamino)-1-[[(2R)-5-(hydroxyamino)-1-[[(2R)-5-(hydroxyamino)-1-[[(2R)-5-(hydroxyamino)-1-[[(4R)-1-(hydroxyamino)-8-(2-methoxyethoxy)-1,5-dioxooctan-4-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-7,10,13,16-tetrakis[3-(hydroxyamino)-3-oxopropyl]-2-methyl-5,8,11,14,17,22-hexaoxodocosan-4-yl]carbamoyl]-5-oxohexanoic acid;(3S)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxohexanoic acid
CID 158679817

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid (CID 157106751) is (2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid is CCCCCC(CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O.CCCCC[C@H](CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H]1CN(OC)C1=O.CCCCC[C@H](CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H]1CN(OC)C1=O.CCCCc1ccc(-c2ccc(C(=O)C[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H]3CN(OC)C3=O)cc2)cc1.CON1C[C@@H](CC(=O)OCc2ccccc2)C1=O.CON1C[C@@H](N)C1=O.CON1C[C@@H](N)C1=O.O=C(C[C@@H]1CN(O)C1=O)OCc1ccccc1.
What is the InChIKey of (2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid?
The InChIKey is AGJRCHIAUNFXMV-PPQCNGFOSA-N. The full InChI is InChI=1S/2C47H69N3O7.C45H67N5O7.C42H62N2O6.C13H15NO4.C12H13NO4.2C4H8N2O2/c2*1-8-11-14-17-38(29-42(51)37-25-23-36(24-26-37)35-21-19-34(20-22-35)16-13-10-3)46(55)48-40(18-15-12-9-2)43(52)28-33(6)45(54)49-41(27-32(4)5)44(53)30-39-31-50(57-7)47(39)56;1-6-7-12-32-15-17-33(18-16-32)34-19-21-35(22-20-34)40(51)27-36(13-8-10-23-46)44(55)48-38(14-9-11-24-47)41(52)26-31(4)43(54)49-39(25-30(2)3)42(53)28-37-29-50(57-5)45(37)56;1-7-10-13-16-35(28-38(45)34-24-22-33(23-25-34)32-20-18-31(19-21-32)15-12-9-3)41(48)43-36(17-14-11-8-2)39(46)27-30(6)40(47)44-37(42(49)50)26-29(4)5;1-17-14-8-11(13(14)16)7-12(15)18-9-10-5-3-2-4-6-10;14-11(6-10-7-13(16)12(10)15)17-8-9-4-2-1-3-5-9;2*1-8-6-2-3(5)4(6)7/h2*19-26,32-33,38-41H,8-18,27-31H2,1-7H3,(H,48,55)(H,49,54);15-22,30-31,36-39H,6-14,23-29,46-47H2,1-5H3,(H,48,55)(H,49,54);18-25,29-30,35-37H,7-17,26-28H2,1-6H3,(H,43,48)(H,44,47)(H,49,50);2-6,11H,7-9H2,1H3;1-5,10,16H,6-8H2;2*3H,2,5H2,1H3/t2*33-,38-,39-,40+,41+;31-,36-,37-,38+,39+;30-,35?,36+,37+;11-;10-;2*3-/m11111111/s1.
What are the key properties of (2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid?
(2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid has a molecular weight of 3773.94 g/mol, XLogP of 31.29, 120 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-9-amino-5-[[(2R)-6-amino-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]hexanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxononanamide;bis((3R)-3-amino-1-methoxyazetidin-2-one);benzyl 2-[(3R)-1-hydroxy-2-oxoazetidin-3-yl]acetate;benzyl 2-[(3R)-1-methoxy-2-oxoazetidin-3-yl]acetate;bis((2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide);(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 157106751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).