(2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

C221H261N13O33 — CID 159713508

IUPAC(2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1.CCOC(=O)[C@@H](C)C[C@@H](N)Cc1ccc(-c2ccccc2)cc1.CCOC(=O)[C@@H](C)C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C.CCOC(=O)[C@H](C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O.C[C@@H](C[C@@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)O.C[C@@H](C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O.C[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)N(C(=O)OC(C)(C)C)C1=O.C[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)NC1=O.O=C1CC[C@@H](C(=O)N2CCOCC2)N1.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)N1.O=C1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C25H33NO4.C24H29NO5.C23H29NO4.C23H27NO3.C22H25NO3.C20H25NO2.C18H21NO2.C18H19NO.C17H15NO2.C17H17NO.C9H14N2O3.C5H7NO3/c1-6-29-23(27)18(2)16-22(26-24(28)30-25(3,4)5)17-19-12-14-21(15-13-19)20-10-8-7-9-11-20;1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18;1-16-14-20(24(21(16)25)22(26)27-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18;1-22(2,3)26-21(25)23-19(13-14-20(23)24)15-16-9-11-18(12-10-16)17-7-5-4-6-8-17;1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;1-13(18(20)21)11-17(19)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;1-13-11-17(19-18(13)20)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;19-16-11-10-15(18-16)17(20)14-8-6-13(7-9-14)12-4-2-1-3-5-12;19-17-11-10-16(18-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14;12-8-2-1-7(10-8)9(13)11-3-5-14-6-4-11;7-4-2-1-3(6-4)5(8)9/h7-15,18,22H,6,16-17H2,1-5H3,(H,26,28);4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26);5-13,16,20H,14-15H2,1-4H3;4-12,19H,13-15H2,1-3H3;4-12,15,19H,3,13-14,21H2,1-2H3;2-10,13,17H,11-12,19H2,1H3,(H,20,21);2-10,13,17H,11-12H2,1H3,(H,19,20);1-9,15H,10-11H2,(H,18,19);1-9,16H,10-12H2,(H,18,19);7H,1-6H2,(H,10,12);3H,1-2H2,(H,6,7)(H,8,9)/t18-,22+;17-,21?;2*16-,20+;19-;15-,19+;2*13-,17+;15-;16-;7-;3-/m010100010000/s1
InChIKeyMZDGREDZJLJISD-UMIVNTOQSA-N
MW3627.58 g/mol
LogP39.03
Rot. Bonds56

About (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

(2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 159713508) has the molecular formula C221H261N13O33 and a molecular weight of 3627.58 g/mol. Its IUPAC name is (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID159713508
Molecular FormulaC221H261N13O33
Molecular Weight3627.58 g/mol
Exact Mass3624.91
IUPAC Name(2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1.CCOC(=O)[C@@H](C)C[C@@H](N)Cc1ccc(-c2ccccc2)cc1.CCOC(=O)[C@@H](C)C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C.CCOC(=O)[C@H](C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O.C[C@@H](C[C@@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)O.C[C@@H](C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O.C[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)N(C(=O)OC(C)(C)C)C1=O.C[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)NC1=O.O=C1CC[C@@H](C(=O)N2CCOCC2)N1.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)N1.O=C1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C25H33NO4.C24H29NO5.C23H29NO4.C23H27NO3.C22H25NO3.C20H25NO2.C18H21NO2.C18H19NO.C17H15NO2.C17H17NO.C9H14N2O3.C5H7NO3/c1-6-29-23(27)18(2)16-22(26-24(28)30-25(3,4)5)17-19-12-14-21(15-13-19)20-10-8-7-9-11-20;1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18;1-16-14-20(24(21(16)25)22(26)27-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18;1-22(2,3)26-21(25)23-19(13-14-20(23)24)15-16-9-11-18(12-10-16)17-7-5-4-6-8-17;1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;1-13(18(20)21)11-17(19)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;1-13-11-17(19-18(13)20)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;19-16-11-10-15(18-16)17(20)14-8-6-13(7-9-14)12-4-2-1-3-5-12;19-17-11-10-16(18-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14;12-8-2-1-7(10-8)9(13)11-3-5-14-6-4-11;7-4-2-1-3(6-4)5(8)9/h7-15,18,22H,6,16-17H2,1-5H3,(H,26,28);4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26);5-13,16,20H,14-15H2,1-4H3;4-12,19H,13-15H2,1-3H3;4-12,15,19H,3,13-14,21H2,1-2H3;2-10,13,17H,11-12,19H2,1H3,(H,20,21);2-10,13,17H,11-12H2,1H3,(H,19,20);1-9,15H,10-11H2,(H,18,19);1-9,16H,10-12H2,(H,18,19);7H,1-6H2,(H,10,12);3H,1-2H2,(H,6,7)(H,8,9)/t18-,22+;17-,21?;2*16-,20+;19-;15-,19+;2*13-,17+;15-;16-;7-;3-/m010100010000/s1
InChIKeyMZDGREDZJLJISD-UMIVNTOQSA-N
XLogP39.03
TPSA671.23 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds56
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003627.58
LogP ≤ 539.03
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Analyze (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (CID 159713508) is (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is CC(C)(C)OC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1.CCOC(=O)[C@@H](C)C[C@@H](N)Cc1ccc(-c2ccccc2)cc1.CCOC(=O)[C@@H](C)C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C.CCOC(=O)[C@H](C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O.C[C@@H](C[C@@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)O.C[C@@H](C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O.C[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)N(C(=O)OC(C)(C)C)C1=O.C[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)NC1=O.O=C1CC[C@@H](C(=O)N2CCOCC2)N1.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)N1.O=C1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)N1.
What is the InChIKey of (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is MZDGREDZJLJISD-UMIVNTOQSA-N. The full InChI is InChI=1S/C25H33NO4.C24H29NO5.C23H29NO4.C23H27NO3.C22H25NO3.C20H25NO2.C18H21NO2.C18H19NO.C17H15NO2.C17H17NO.C9H14N2O3.C5H7NO3/c1-6-29-23(27)18(2)16-22(26-24(28)30-25(3,4)5)17-19-12-14-21(15-13-19)20-10-8-7-9-11-20;1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18;1-16-14-20(24(21(16)25)22(26)27-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18;1-22(2,3)26-21(25)23-19(13-14-20(23)24)15-16-9-11-18(12-10-16)17-7-5-4-6-8-17;1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;1-13(18(20)21)11-17(19)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;1-13-11-17(19-18(13)20)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;19-16-11-10-15(18-16)17(20)14-8-6-13(7-9-14)12-4-2-1-3-5-12;19-17-11-10-16(18-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14;12-8-2-1-7(10-8)9(13)11-3-5-14-6-4-11;7-4-2-1-3(6-4)5(8)9/h7-15,18,22H,6,16-17H2,1-5H3,(H,26,28);4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26);5-13,16,20H,14-15H2,1-4H3;4-12,19H,13-15H2,1-3H3;4-12,15,19H,3,13-14,21H2,1-2H3;2-10,13,17H,11-12,19H2,1H3,(H,20,21);2-10,13,17H,11-12H2,1H3,(H,19,20);1-9,15H,10-11H2,(H,18,19);1-9,16H,10-12H2,(H,18,19);7H,1-6H2,(H,10,12);3H,1-2H2,(H,6,7)(H,8,9)/t18-,22+;17-,21?;2*16-,20+;19-;15-,19+;2*13-,17+;15-;16-;7-;3-/m010100010000/s1.
What are the key properties of (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
(2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 3627.58 g/mol, XLogP of 39.03, 56 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;tert-butyl (3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid;(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one;(2S)-5-oxopyrrolidine-2-carboxylic acid;(5S)-5-(4-phenylbenzoyl)pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 159713508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).