(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C78H85N17O18S4 — CID 160977386

IUPAC(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESCC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)CN(Cc3ccccn3)Cc3ccccn3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.COC(=O)[C@H]1/C(=C/Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)S[C@@H]2CC(=O)N21.O=C(O)[C@H]1/C(=C/CO)S[C@@H]2CC(=O)N21
InChIInChI=1S/C30H32N6O6S.C24H25N7O3S.C16H19N3O5S.C8H9NO4S/c1-30(2)25(29(41)42)36-27(40)24(28(36)43-30)34-26(39)23(18-9-11-21(37)12-10-18)33-22(38)17-35(15-19-7-3-5-13-31-19)16-20-8-4-6-14-32-20;1-34-24(33)23-20(35-22-12-21(32)31(22)23)8-11-30-16-19(27-28-30)15-29(13-17-6-2-4-9-25-17)14-18-7-3-5-10-26-18;1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h3-14,23-25,28,37H,15-17H2,1-2H3,(H,33,38)(H,34,39)(H,41,42);2-10,16,22-23H,11-15H2,1H3;3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);1,6-7,10H,2-3H2,(H,12,13)/b;20-8-;;4-1-/t23-,24-,25+,28-;22-,23-;9-,10-,11+,14-;6-,7-/m1111/s1
InChIKeySZAZKWBBPZBMAY-CLKMEICZSA-N
MW1676.91 g/mol
LogP3.32
Rot. Bonds26

About (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (PubChem CID 160977386) has the molecular formula C78H85N17O18S4 and a molecular weight of 1676.91 g/mol. Its IUPAC name is (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.

Molecular Properties

Compound Name(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
PubChem CID160977386
Molecular FormulaC78H85N17O18S4
Molecular Weight1676.91 g/mol
Exact Mass1675.51
IUPAC Name(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESCC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)CN(Cc3ccccn3)Cc3ccccn3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.COC(=O)[C@H]1/C(=C/Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)S[C@@H]2CC(=O)N21.O=C(O)[C@H]1/C(=C/CO)S[C@@H]2CC(=O)N21
InChIInChI=1S/C30H32N6O6S.C24H25N7O3S.C16H19N3O5S.C8H9NO4S/c1-30(2)25(29(41)42)36-27(40)24(28(36)43-30)34-26(39)23(18-9-11-21(37)12-10-18)33-22(38)17-35(15-19-7-3-5-13-31-19)16-20-8-4-6-14-32-20;1-34-24(33)23-20(35-22-12-21(32)31(22)23)8-11-30-16-19(27-28-30)15-29(13-17-6-2-4-9-25-17)14-18-7-3-5-10-26-18;1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h3-14,23-25,28,37H,15-17H2,1-2H3,(H,33,38)(H,34,39)(H,41,42);2-10,16,22-23H,11-15H2,1H3;3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);1,6-7,10H,2-3H2,(H,12,13)/b;20-8-;;4-1-/t23-,24-,25+,28-;22-,23-;9-,10-,11+,14-;6-,7-/m1111/s1
InChIKeySZAZKWBBPZBMAY-CLKMEICZSA-N
XLogP3.32
TPSA482.20 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001676.91
LogP ≤ 53.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2S,5R,6R)-6-[[(2R)-2-[[(2S,5R,6R)-6-[[(2R)-2-[[(2S,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 169432986
(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;λ2-plumbane
CID 173200077
actinium;(2R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 59047659
benzyl (2S,5R,6R)-6-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
CID 70464138
(2S,5R)-6-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N,N-diethylethanamine
CID 173446599
(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;piperazine
CID 118112482
6-[[2-[(2-amino-2-phenylacetyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 10096771
(2S,5R,6R)-6-[[2-[[(2R)-2,4-diamino-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 54385607
(2S,5R)-6-[[2-[(2-aminopyridine-3-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 70607498
(2S,5R,6R)-6-[[2-[[2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 22799715
(2S,5R,6S)-6-[[(2R)-2-[[(2R)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 12905358
(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 70292480

Frequently Asked Questions

What is the IUPAC name of (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The IUPAC name of (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CID 160977386) is (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
What is the SMILES notation for (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The canonical SMILES for (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate is CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)CN(Cc3ccccn3)Cc3ccccn3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.COC(=O)[C@H]1/C(=C/Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)S[C@@H]2CC(=O)N21.O=C(O)[C@H]1/C(=C/CO)S[C@@H]2CC(=O)N21.
What is the InChIKey of (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The InChIKey is SZAZKWBBPZBMAY-CLKMEICZSA-N. The full InChI is InChI=1S/C30H32N6O6S.C24H25N7O3S.C16H19N3O5S.C8H9NO4S/c1-30(2)25(29(41)42)36-27(40)24(28(36)43-30)34-26(39)23(18-9-11-21(37)12-10-18)33-22(38)17-35(15-19-7-3-5-13-31-19)16-20-8-4-6-14-32-20;1-34-24(33)23-20(35-22-12-21(32)31(22)23)8-11-30-16-19(27-28-30)15-29(13-17-6-2-4-9-25-17)14-18-7-3-5-10-26-18;1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h3-14,23-25,28,37H,15-17H2,1-2H3,(H,33,38)(H,34,39)(H,41,42);2-10,16,22-23H,11-15H2,1H3;3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);1,6-7,10H,2-3H2,(H,12,13)/b;20-8-;;4-1-/t23-,24-,25+,28-;22-,23-;9-,10-,11+,14-;6-,7-/m1111/s1.
What are the key properties of (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate?
(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate has a molecular weight of 1676.91 g/mol, XLogP of 3.32, 26 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;methyl (2S,3Z,5R)-3-[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]ethylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate is sourced from PubChem (CID 160977386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).