(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid

C175H176F7N27O34 — CID 157393020

IUPAC(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid
SMILESC=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)NC(c1ccccc1)C(F)(F)F.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)Cc1ccccc1.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1ccc(OC(C)(F)F)cc1.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cncc2ccccc12.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cncc2ccccc12.COc1ccc([C@@H](C)CC(=O)N2C(=O)[C@H](Cc3ccnc(N)c3)[C@H]2C(=O)O)cc1.C[C@@H](NC(=O)C1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cccc(OC(C)(F)F)c1.Nc1cc(C[C@H]2C(=O)N(C(=O)CCc3cccc4ccccc34)[C@@H]2C(=O)O)ccn1
InChIInChI=1S/2C23H22N4O4.C23H21N3O4.2C22H23F2N3O5.C21H23N3O5.C21H23N3O4.C20H19F3N4O3/c2*1-13(18-12-25-11-15-4-2-3-5-16(15)18)8-20(28)27-21(23(30)31)17(22(27)29)9-14-6-7-26-19(24)10-14;24-19-13-14(10-11-25-19)12-18-21(23(29)30)26(22(18)28)20(27)9-8-16-6-3-5-15-4-1-2-7-17(15)16;1-12(14-3-5-15(6-4-14)32-22(2,23)24)9-18(28)27-19(21(30)31)16(20(27)29)10-13-7-8-26-17(25)11-13;1-11(13-4-3-5-14(10-13)32-22(2,23)24)27-20(29)18-17(21(30)31)15(19(18)28)8-12-6-7-26-16(25)9-12;1-12(14-3-5-15(29-2)6-4-14)9-18(25)24-19(21(27)28)16(20(24)26)10-13-7-8-23-17(22)11-13;1-13(9-14-5-3-2-4-6-14)10-18(25)24-19(21(27)28)16(20(24)26)11-15-7-8-23-17(22)12-15;1-11-14(9-12-7-8-25-15(24)10-12)16(18(28)29)27(11)19(30)26-17(20(21,22)23)13-5-3-2-4-6-13/h2*2-7,10-13,17,21H,8-9H2,1H3,(H2,24,26)(H,30,31);1-7,10-11,13,18,21H,8-9,12H2,(H2,24,25)(H,29,30);3-8,11-12,16,19H,9-10H2,1-2H3,(H2,25,26)(H,30,31);3-7,9-11,15,17-18H,8H2,1-2H3,(H2,25,26)(H,27,29)(H,30,31);3-8,11-12,16,19H,9-10H2,1-2H3,(H2,22,23)(H,27,28);2-8,12-13,16,19H,9-11H2,1H3,(H2,22,23)(H,27,28);2-8,10,14,16-17H,1,9H2,(H2,24,25)(H,26,30)(H,28,29)/t2*13?,17-,21+;18-,21+;12?,16-,19+;11-,15-,17-,18?;12-,16+,19-;13?,16-,19+;14-,16-,17?/m11111010/s1
InChIKeyBMFTZUAQUDQUOO-LEJNUVANSA-N
MW3334.47 g/mol
LogP19.50
Rot. Bonds53

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid (PubChem CID 157393020) has the molecular formula C175H176F7N27O34 and a molecular weight of 3334.47 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid
PubChem CID157393020
Molecular FormulaC175H176F7N27O34
Molecular Weight3334.47 g/mol
Exact Mass3332.28
IUPAC Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid
SMILESC=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)NC(c1ccccc1)C(F)(F)F.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)Cc1ccccc1.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1ccc(OC(C)(F)F)cc1.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cncc2ccccc12.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cncc2ccccc12.COc1ccc([C@@H](C)CC(=O)N2C(=O)[C@H](Cc3ccnc(N)c3)[C@H]2C(=O)O)cc1.C[C@@H](NC(=O)C1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cccc(OC(C)(F)F)c1.Nc1cc(C[C@H]2C(=O)N(C(=O)CCc3cccc4ccccc34)[C@@H]2C(=O)O)ccn1
InChIInChI=1S/2C23H22N4O4.C23H21N3O4.2C22H23F2N3O5.C21H23N3O5.C21H23N3O4.C20H19F3N4O3/c2*1-13(18-12-25-11-15-4-2-3-5-16(15)18)8-20(28)27-21(23(30)31)17(22(27)29)9-14-6-7-26-19(24)10-14;24-19-13-14(10-11-25-19)12-18-21(23(29)30)26(22(18)28)20(27)9-8-16-6-3-5-15-4-1-2-7-17(15)16;1-12(14-3-5-15(6-4-14)32-22(2,23)24)9-18(28)27-19(21(30)31)16(20(27)29)10-13-7-8-26-17(25)11-13;1-11(13-4-3-5-14(10-13)32-22(2,23)24)27-20(29)18-17(21(30)31)15(19(18)28)8-12-6-7-26-16(25)9-12;1-12(14-3-5-15(29-2)6-4-14)9-18(25)24-19(21(27)28)16(20(24)26)10-13-7-8-23-17(22)11-13;1-13(9-14-5-3-2-4-6-14)10-18(25)24-19(21(27)28)16(20(24)26)11-15-7-8-23-17(22)12-15;1-11-14(9-12-7-8-25-15(24)10-12)16(18(28)29)27(11)19(30)26-17(20(21,22)23)13-5-3-2-4-6-13/h2*2-7,10-13,17,21H,8-9H2,1H3,(H2,24,26)(H,30,31);1-7,10-11,13,18,21H,8-9,12H2,(H2,24,25)(H,29,30);3-8,11-12,16,19H,9-10H2,1-2H3,(H2,25,26)(H,30,31);3-7,9-11,15,17-18H,8H2,1-2H3,(H2,25,26)(H,27,29)(H,30,31);3-8,11-12,16,19H,9-10H2,1-2H3,(H2,22,23)(H,27,28);2-8,12-13,16,19H,9-11H2,1H3,(H2,22,23)(H,27,28);2-8,10,14,16-17H,1,9H2,(H2,24,25)(H,26,30)(H,28,29)/t2*13?,17-,21+;18-,21+;12?,16-,19+;11-,15-,17-,18?;12-,16+,19-;13?,16-,19+;14-,16-,17?/m11111010/s1
InChIKeyBMFTZUAQUDQUOO-LEJNUVANSA-N
XLogP19.50
TPSA965.94 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds53
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003334.47
LogP ≤ 519.50
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

Analyze (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid?
The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid (CID 157393020) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid?
The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid is C=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)NC(c1ccccc1)C(F)(F)F.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)Cc1ccccc1.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1ccc(OC(C)(F)F)cc1.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cncc2ccccc12.CC(CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cncc2ccccc12.COc1ccc([C@@H](C)CC(=O)N2C(=O)[C@H](Cc3ccnc(N)c3)[C@H]2C(=O)O)cc1.C[C@@H](NC(=O)C1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cccc(OC(C)(F)F)c1.Nc1cc(C[C@H]2C(=O)N(C(=O)CCc3cccc4ccccc34)[C@@H]2C(=O)O)ccn1.
What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid?
The InChIKey is BMFTZUAQUDQUOO-LEJNUVANSA-N. The full InChI is InChI=1S/2C23H22N4O4.C23H21N3O4.2C22H23F2N3O5.C21H23N3O5.C21H23N3O4.C20H19F3N4O3/c2*1-13(18-12-25-11-15-4-2-3-5-16(15)18)8-20(28)27-21(23(30)31)17(22(27)29)9-14-6-7-26-19(24)10-14;24-19-13-14(10-11-25-19)12-18-21(23(29)30)26(22(18)28)20(27)9-8-16-6-3-5-15-4-1-2-7-17(15)16;1-12(14-3-5-15(6-4-14)32-22(2,23)24)9-18(28)27-19(21(30)31)16(20(27)29)10-13-7-8-26-17(25)11-13;1-11(13-4-3-5-14(10-13)32-22(2,23)24)27-20(29)18-17(21(30)31)15(19(18)28)8-12-6-7-26-16(25)9-12;1-12(14-3-5-15(29-2)6-4-14)9-18(25)24-19(21(27)28)16(20(24)26)10-13-7-8-23-17(22)11-13;1-13(9-14-5-3-2-4-6-14)10-18(25)24-19(21(27)28)16(20(24)26)11-15-7-8-23-17(22)12-15;1-11-14(9-12-7-8-25-15(24)10-12)16(18(28)29)27(11)19(30)26-17(20(21,22)23)13-5-3-2-4-6-13/h2*2-7,10-13,17,21H,8-9H2,1H3,(H2,24,26)(H,30,31);1-7,10-11,13,18,21H,8-9,12H2,(H2,24,25)(H,29,30);3-8,11-12,16,19H,9-10H2,1-2H3,(H2,25,26)(H,30,31);3-7,9-11,15,17-18H,8H2,1-2H3,(H2,25,26)(H,27,29)(H,30,31);3-8,11-12,16,19H,9-10H2,1-2H3,(H2,22,23)(H,27,28);2-8,12-13,16,19H,9-11H2,1H3,(H2,22,23)(H,27,28);2-8,10,14,16-17H,1,9H2,(H2,24,25)(H,26,30)(H,28,29)/t2*13?,17-,21+;18-,21+;12?,16-,19+;11-,15-,17-,18?;12-,16+,19-;13?,16-,19+;14-,16-,17?/m11111010/s1.
What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid?
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid has a molecular weight of 3334.47 g/mol, XLogP of 19.50, 53 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid;bis((2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid);(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-methyl-4-phenylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-4-[[(1R)-1-[3-(1,1-difluoroethoxy)phenyl]ethyl]carbamoyl]-3-oxocyclobutane-1-carboxylic acid is sourced from PubChem (CID 157393020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).