acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine

C152H184N20O20 — CID 157253753

IUPACacetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine
SMILESCC(=O)O.CC(C)(C)OC(=O)C[C@@H](COCc1ccccc1)C(=O)NCC(=O)c1ccccc1.CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.CC(C)N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N(C(C)C)[C@@H](CO)c1ncc(-c2ccccc2)[nH]1.Cc1cc(C(N)=O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C)[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C38H47N5O5.C26H33N5O3.C24H29NO5.C23H27N3O3.C21H25N3O.C18H19N3O.C2H4O2/c1-24(2)43(33(23-47-22-27-14-10-8-11-15-27)35-40-21-32(41-35)28-16-12-9-13-17-28)36(45)31(42-37(46)48-38(5,6)7)20-30-25(3)18-29(34(39)44)19-26(30)4;1-15(2)31(23(14-32)25-29-13-22(30-25)18-8-6-5-7-9-18)26(34)21(27)12-20-16(3)10-19(24(28)33)11-17(20)4;1-24(2,3)30-22(27)14-20(17-29-16-18-10-6-4-7-11-18)23(28)25-15-21(26)19-12-8-5-9-13-19;1-23(2,3)29-22(27)26-20(16-28-15-17-10-6-4-7-11-17)21-24-14-19(25-21)18-12-8-5-9-13-18;1-16(2)23-20(15-25-14-17-9-5-3-6-10-17)21-22-13-19(24-21)18-11-7-4-8-12-18;19-16(13-22-12-14-7-3-1-4-8-14)18-20-11-17(21-18)15-9-5-2-6-10-15;1-2(3)4/h8-19,21,24,31,33H,20,22-23H2,1-7H3,(H2,39,44)(H,40,41)(H,42,46);5-11,13,15,21,23,32H,12,14,27H2,1-4H3,(H2,28,33)(H,29,30);4-13,20H,14-17H2,1-3H3,(H,25,28);4-14,20H,15-16H2,1-3H3,(H,24,25)(H,26,27);3-13,16,20,23H,14-15H2,1-2H3,(H,22,24);1-11,16H,12-13,19H2,(H,20,21);1H3,(H,3,4)/t31-,33-;21-,23-;3*20-;16-;/m000000./s1
InChIKeyBIUDHQJIMYTGLW-BRUCBYJCSA-N
MW2611.26 g/mol
LogP25.18
Rot. Bonds53

About acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine

acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine (PubChem CID 157253753) has the molecular formula C152H184N20O20 and a molecular weight of 2611.26 g/mol. Its IUPAC name is acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine.

Molecular Properties

Compound Nameacetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine
PubChem CID157253753
Molecular FormulaC152H184N20O20
Molecular Weight2611.26 g/mol
Exact Mass2609.40
IUPAC Nameacetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine
SMILESCC(=O)O.CC(C)(C)OC(=O)C[C@@H](COCc1ccccc1)C(=O)NCC(=O)c1ccccc1.CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.CC(C)N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N(C(C)C)[C@@H](CO)c1ncc(-c2ccccc2)[nH]1.Cc1cc(C(N)=O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C)[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C38H47N5O5.C26H33N5O3.C24H29NO5.C23H27N3O3.C21H25N3O.C18H19N3O.C2H4O2/c1-24(2)43(33(23-47-22-27-14-10-8-11-15-27)35-40-21-32(41-35)28-16-12-9-13-17-28)36(45)31(42-37(46)48-38(5,6)7)20-30-25(3)18-29(34(39)44)19-26(30)4;1-15(2)31(23(14-32)25-29-13-22(30-25)18-8-6-5-7-9-18)26(34)21(27)12-20-16(3)10-19(24(28)33)11-17(20)4;1-24(2,3)30-22(27)14-20(17-29-16-18-10-6-4-7-11-18)23(28)25-15-21(26)19-12-8-5-9-13-19;1-23(2,3)29-22(27)26-20(16-28-15-17-10-6-4-7-11-17)21-24-14-19(25-21)18-12-8-5-9-13-18;1-16(2)23-20(15-25-14-17-9-5-3-6-10-17)21-22-13-19(24-21)18-11-7-4-8-12-18;19-16(13-22-12-14-7-3-1-4-8-14)18-20-11-17(21-18)15-9-5-2-6-10-15;1-2(3)4/h8-19,21,24,31,33H,20,22-23H2,1-7H3,(H2,39,44)(H,40,41)(H,42,46);5-11,13,15,21,23,32H,12,14,27H2,1-4H3,(H2,28,33)(H,29,30);4-13,20H,14-17H2,1-3H3,(H,25,28);4-14,20H,15-16H2,1-3H3,(H,24,25)(H,26,27);3-13,16,20,23H,14-15H2,1-2H3,(H,22,24);1-11,16H,12-13,19H2,(H,20,21);1H3,(H,3,4)/t31-,33-;21-,23-;3*20-;16-;/m000000./s1
InChIKeyBIUDHQJIMYTGLW-BRUCBYJCSA-N
XLogP25.18
TPSA587.08 Ų
H-Bond Donors15
H-Bond Acceptors27
Rotatable Bonds53
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002611.26
LogP ≤ 525.18
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

benzyl (2R)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4,8-dioxa-1-azaspiro[4.5]decane-1-carboxylate
CID 46214246
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S,3R)-3-hydroxy-2-[[2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]acetyl]amino]butanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid
CID 76318124
benzyl 4,4-difluoro-2-[5-[4-[6-[2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-[5-[6-[4-[2-[4,4-difluoro-1-[2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid;tris(2-methylpropane)
CID 140239507
tert-butyl 4,4-difluoro-2-[5-[4-[6-[2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;4,4-difluoro-2-[5-[4-[6-[2-[1-[2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid;tris(2-methylpropane)
CID 140239512
tert-butyl (2S)-2-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-4,4-difluoropyrrolidine-1-carboxylate;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-3-methoxy-2-(methoxycarbonylamino)butanoic acid;methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-4,4-difluoro-2-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 157096122
tert-butyl (2S)-2-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-4,4-difluoropyrrolidine-1-carboxylate;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid;methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-4,4-difluoro-2-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 157096126
[2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide
CID 157125871
tert-butyl (2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid;methyl N-[2-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-(3-methylphenyl)-2-oxoethyl]-N-methylcarbamate
CID 158390662
tert-butyl (2S)-2-[5-[4-[9,9-difluoro-7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(1R)-2-[(2S)-2-[5-[4-[9,9-difluoro-7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 158443559
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-N-propan-2-ylpropanamide;benzyl N-[(2S)-1-oxo-1-(phenacylamino)propan-2-yl]carbamate;benzyl N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;tert-butyl N-[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]propan-2-yl]carbamate;methane;(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethanamine;N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine;2,2,2-trifluoroacetic acid
CID 158490592
[(1S)-2-[(2S)-2-[5-[9,9-difluoro-7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]fluoren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamic acid;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(1R)-2-[(2S)-2-[5-[4-[9,9-difluoro-7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 158780009
ethyl (5S)-5-[[(1R,2R,3R,4S)-3-[4-[4-[4-[2-[(2S)-1-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]bicyclo[2.2.1]heptane-2-carbonyl]amino]-6-methyl-4-oxoheptanoate;methyl N-[(2S)-1-[(2S)-2-[5-[9,9-difluoro-7-[2-[(3R)-3-(pyridin-3-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[(9S)-9-hydroxy-9-methyl-7-[2-[(3R)-3-(pyridin-3-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[9-oxo-7-[2-[(3R)-3-(pyridin-3-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 158810754

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine?
The IUPAC name of acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine (CID 157253753) is acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine.
What is the SMILES notation for acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine?
The canonical SMILES for acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine is CC(=O)O.CC(C)(C)OC(=O)C[C@@H](COCc1ccccc1)C(=O)NCC(=O)c1ccccc1.CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.CC(C)N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N(C(C)C)[C@@H](CO)c1ncc(-c2ccccc2)[nH]1.Cc1cc(C(N)=O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C)[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine?
The InChIKey is BIUDHQJIMYTGLW-BRUCBYJCSA-N. The full InChI is InChI=1S/C38H47N5O5.C26H33N5O3.C24H29NO5.C23H27N3O3.C21H25N3O.C18H19N3O.C2H4O2/c1-24(2)43(33(23-47-22-27-14-10-8-11-15-27)35-40-21-32(41-35)28-16-12-9-13-17-28)36(45)31(42-37(46)48-38(5,6)7)20-30-25(3)18-29(34(39)44)19-26(30)4;1-15(2)31(23(14-32)25-29-13-22(30-25)18-8-6-5-7-9-18)26(34)21(27)12-20-16(3)10-19(24(28)33)11-17(20)4;1-24(2,3)30-22(27)14-20(17-29-16-18-10-6-4-7-11-18)23(28)25-15-21(26)19-12-8-5-9-13-19;1-23(2,3)29-22(27)26-20(16-28-15-17-10-6-4-7-11-17)21-24-14-19(25-21)18-12-8-5-9-13-18;1-16(2)23-20(15-25-14-17-9-5-3-6-10-17)21-22-13-19(24-21)18-11-7-4-8-12-18;19-16(13-22-12-14-7-3-1-4-8-14)18-20-11-17(21-18)15-9-5-2-6-10-15;1-2(3)4/h8-19,21,24,31,33H,20,22-23H2,1-7H3,(H2,39,44)(H,40,41)(H,42,46);5-11,13,15,21,23,32H,12,14,27H2,1-4H3,(H2,28,33)(H,29,30);4-13,20H,14-17H2,1-3H3,(H,25,28);4-14,20H,15-16H2,1-3H3,(H,24,25)(H,26,27);3-13,16,20,23H,14-15H2,1-2H3,(H,22,24);1-11,16H,12-13,19H2,(H,20,21);1H3,(H,3,4)/t31-,33-;21-,23-;3*20-;16-;/m000000./s1.
What are the key properties of acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine?
acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine has a molecular weight of 2611.26 g/mol, XLogP of 25.18, 53 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl (3S)-4-oxo-4-(phenacylamino)-3-(phenylmethoxymethyl)butanoate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine is sourced from PubChem (CID 157253753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).