(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid

C104H120N22O18 — CID 167580005

IUPAC(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid
SMILESC=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)NC(CCC)CCC.C=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)N[C@H](C)c1cccnc1.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cccc(CN2CCCC2)c1.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cccc2ccncc12.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cncnc1
InChIInChI=1S/C25H30N4O4.C23H22N4O4.C19H21N5O3.C19H28N4O3.C18H19N5O4/c1-16(19-6-4-5-18(12-19)15-28-9-2-3-10-28)11-22(30)29-23(25(32)33)20(24(29)31)13-17-7-8-27-21(26)14-17;1-13(16-4-2-3-15-6-7-25-12-18(15)16)9-20(28)27-21(23(30)31)17(22(27)29)10-14-5-8-26-19(24)11-14;1-11(14-4-3-6-21-10-14)23-19(27)24-12(2)15(17(24)18(25)26)8-13-5-7-22-16(20)9-13;1-4-6-14(7-5-2)22-19(26)23-12(3)15(17(23)18(24)25)10-13-8-9-21-16(20)11-13;1-10(12-7-20-9-21-8-12)4-15(24)23-16(18(26)27)13(17(23)25)5-11-2-3-22-14(19)6-11/h4-8,12,14,16,20,23H,2-3,9-11,13,15H2,1H3,(H2,26,27)(H,32,33);2-8,11-13,17,21H,9-10H2,1H3,(H2,24,26)(H,30,31);3-7,9-11,15,17H,2,8H2,1H3,(H2,20,22)(H,23,27)(H,25,26);8-9,11,14-15,17H,3-7,10H2,1-2H3,(H2,20,21)(H,22,26)(H,24,25);2-3,6-10,13,16H,4-5H2,1H3,(H2,19,22)(H,26,27)/t16-,20+,23-;13-,17+,21-;11-,15+,17+;15-,17-;10-,13+,16-/m00100/s1
InChIKeyHBDQOYHVDIXJHM-PFIYMREESA-N
MW1966.24 g/mol
LogP10.20
Rot. Bonds33

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid (PubChem CID 167580005) has the molecular formula C104H120N22O18 and a molecular weight of 1966.24 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid
PubChem CID167580005
Molecular FormulaC104H120N22O18
Molecular Weight1966.24 g/mol
Exact Mass1964.92
IUPAC Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid
SMILESC=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)NC(CCC)CCC.C=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)N[C@H](C)c1cccnc1.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cccc(CN2CCCC2)c1.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cccc2ccncc12.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cncnc1
InChIInChI=1S/C25H30N4O4.C23H22N4O4.C19H21N5O3.C19H28N4O3.C18H19N5O4/c1-16(19-6-4-5-18(12-19)15-28-9-2-3-10-28)11-22(30)29-23(25(32)33)20(24(29)31)13-17-7-8-27-21(26)14-17;1-13(16-4-2-3-15-6-7-25-12-18(15)16)9-20(28)27-21(23(30)31)17(22(27)29)10-14-5-8-26-19(24)11-14;1-11(14-4-3-6-21-10-14)23-19(27)24-12(2)15(17(24)18(25)26)8-13-5-7-22-16(20)9-13;1-4-6-14(7-5-2)22-19(26)23-12(3)15(17(23)18(24)25)10-13-8-9-21-16(20)11-13;1-10(12-7-20-9-21-8-12)4-15(24)23-16(18(26)27)13(17(23)25)5-11-2-3-22-14(19)6-11/h4-8,12,14,16,20,23H,2-3,9-11,13,15H2,1H3,(H2,26,27)(H,32,33);2-8,11-13,17,21H,9-10H2,1H3,(H2,24,26)(H,30,31);3-7,9-11,15,17H,2,8H2,1H3,(H2,20,22)(H,23,27)(H,25,26);8-9,11,14-15,17H,3-7,10H2,1-2H3,(H2,20,21)(H,22,26)(H,24,25);2-3,6-10,13,16H,4-5H2,1H3,(H2,19,22)(H,26,27)/t16-,20+,23-;13-,17+,21-;11-,15+,17+;15-,17-;10-,13+,16-/m00100/s1
InChIKeyHBDQOYHVDIXJHM-PFIYMREESA-N
XLogP10.20
TPSA612.67 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001966.24
LogP ≤ 510.20
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-3-[4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)phenyl]-2-[[1-[5-fluoro-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]piperidine-3-carbonyl]amino]propanoic acid
CID 60110408
CID 160687646
CID 160687646
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(3-ethylphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-phenylpropyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1S)-2,2,2-trifluoro-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid
CID 161214882
CID 162000928
CID 162000928
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1R)-1-(3-ethylphenyl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-phenylpropyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-(1-pyridin-3-ylethylcarbamoyl)azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1S)-2,2,2-trifluoro-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-methylphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-naphthalen-1-ylpropanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-(3-phenylpropanoyl)azetidine-2-carboxylic acid
CID 167597699
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(1-isoquinolin-4-ylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
CID 118299465
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1R)-1-isoquinolin-8-ylethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid
CID 118299473
3-[(2-Amino-4-pyridinyl)methyl]-1-(1-isoquinolin-8-ylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
CID 123364060
3-[(2-Amino-4-pyridinyl)methyl]-1-[1-[6-[[[4-[[2-carboxy-4-oxo-1-(1-phenylbutylcarbamoyl)azetidin-3-yl]methyl]-2-pyridinyl]amino]methyl]-2-pyridinyl]ethylcarbamoyl]-4-oxoazetidine-2-carboxylic acid
CID 123780050
3-[(2-Amino-4-pyridinyl)methyl]-1-(1-isoquinolin-4-ylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
CID 123788534
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[1-[7-[[4-[[(2S,3R)-2-carboxy-4-oxo-1-[[(1R)-1-pyrimidin-5-ylethyl]carbamoyl]azetidin-3-yl]methyl]-2-pyridinyl]amino]isoquinolin-4-yl]ethylcarbamoyl]-4-oxoazetidine-2-carboxylic acid
CID 138546208
(2S,3R)-1-[[(1R)-1-[6-[6-amino-4-[[(2S,3R)-2-carboxy-4-oxo-1-[[(1R)-1-phenylpropyl]carbamoyl]azetidin-3-yl]methyl]-2-pyridinyl]-3-pyridinyl]ethyl]carbamoyl]-3-[(2-amino-4-pyridinyl)methyl]-4-oxoazetidine-2-carboxylic acid
CID 138546248

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid (CID 167580005) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid is C=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)NC(CCC)CCC.C=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)N[C@H](C)c1cccnc1.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cccc(CN2CCCC2)c1.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cccc2ccncc12.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1cncnc1.
What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid?
The InChIKey is HBDQOYHVDIXJHM-PFIYMREESA-N. The full InChI is InChI=1S/C25H30N4O4.C23H22N4O4.C19H21N5O3.C19H28N4O3.C18H19N5O4/c1-16(19-6-4-5-18(12-19)15-28-9-2-3-10-28)11-22(30)29-23(25(32)33)20(24(29)31)13-17-7-8-27-21(26)14-17;1-13(16-4-2-3-15-6-7-25-12-18(15)16)9-20(28)27-21(23(30)31)17(22(27)29)10-14-5-8-26-19(24)11-14;1-11(14-4-3-6-21-10-14)23-19(27)24-12(2)15(17(24)18(25)26)8-13-5-7-22-16(20)9-13;1-4-6-14(7-5-2)22-19(26)23-12(3)15(17(23)18(24)25)10-13-8-9-21-16(20)11-13;1-10(12-7-20-9-21-8-12)4-15(24)23-16(18(26)27)13(17(23)25)5-11-2-3-22-14(19)6-11/h4-8,12,14,16,20,23H,2-3,9-11,13,15H2,1H3,(H2,26,27)(H,32,33);2-8,11-13,17,21H,9-10H2,1H3,(H2,24,26)(H,30,31);3-7,9-11,15,17H,2,8H2,1H3,(H2,20,22)(H,23,27)(H,25,26);8-9,11,14-15,17H,3-7,10H2,1-2H3,(H2,20,21)(H,22,26)(H,24,25);2-3,6-10,13,16H,4-5H2,1H3,(H2,19,22)(H,26,27)/t16-,20+,23-;13-,17+,21-;11-,15+,17+;15-,17-;10-,13+,16-/m00100/s1.
What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid?
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid has a molecular weight of 1966.24 g/mol, XLogP of 10.20, 33 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(heptan-4-ylcarbamoyl)-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-methylidene-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]butanoyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 167580005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).