(6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C151H144ClN45O27S14 — CID 172942162

IUPAC(6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILESCO/N=C(\C(=O)C[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc4c(ccn4Cc4cc(C(N)=Nc5nccs5)cs4)c3)CS[C@H]12)c1nc(N)sc1Cl.CO/N=C(\C(=O)C[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cn3ccc4n3cc[n+]4Cc3ccc(/C(N)=N/C4CC4)cc3)CS[C@H]12)c1csc(N)n1.[H]/N=C(/c1ccc(C[n+]2ccn3c2ccn3CC2=C(C(=O)[O-])N3C(=O)[C@@H](CC(=O)/C(=N\OC)c4csc(N)n4)[C@H]3SC2)cc1)N1CCCC1.[H]/N=C(\N)c1csc(Cn2ccc3c2ccc[n+]3CC2=C(C(=O)[O-])N3C(=O)[C@@H](CC(=O)/C(=N\OC(C)(C)C(=O)O)c4nsc(N)n4)[C@H]3SC2)c1.[H]/N=C(\N)c1csc(Cn2ccc3c[n+](CC4=C(C(=O)[O-])N5C(=O)[C@@H](CC(=O)/C(=N\OC)c6nsc(N)n6)[C@H]5SC4)ccc32)c1
InChIInChI=1S/C32H33N9O5S2.C31H26ClN9O5S4.C31H31N9O5S2.C30H29N9O7S3.C27H25N9O5S3/c1-46-36-26(23-18-48-32(34)35-23)24(42)14-22-29(43)41-27(31(44)45)21(17-47-30(22)41)16-39-11-8-25-38(12-13-40(25)39)15-19-4-6-20(7-5-19)28(33)37-9-2-3-10-37;1-46-38-22(23-25(32)50-30(34)36-23)21(42)9-19-27(43)41-24(29(44)45)17(14-49-28(19)41)11-39-5-3-20-15(10-39)2-6-40(20)12-18-8-16(13-48-18)26(33)37-31-35-4-7-47-31;1-45-36-25(22-16-47-31(33)35-22)23(41)12-21-28(42)40-26(30(43)44)19(15-46-29(21)40)14-38-9-8-24-37(10-11-39(24)38)13-17-2-4-18(5-3-17)27(32)34-20-6-7-20;1-30(2,28(44)45)46-35-21(24-34-29(33)49-36-24)20(40)9-17-25(41)39-22(27(42)43)15(13-48-26(17)39)10-37-6-3-4-18-19(37)5-7-38(18)11-16-8-14(12-47-16)23(31)32;1-41-32-20(23-31-27(30)44-33-23)19(37)7-17-24(38)36-21(26(39)40)15(12-43-25(17)36)9-34-4-3-18-13(8-34)2-5-35(18)10-16-6-14(11-42-16)22(28)29/h4-8,11-13,18,22,30,33H,2-3,9-10,14-17H2,1H3,(H2-,34,35,44,45);2-8,10,13,19,28H,9,11-12,14H2,1H3,(H4-,33,34,35,36,37,44,45);2-5,8-11,16,20-21,29H,6-7,12-15H2,1H3,(H4-,32,33,34,35,43,44);3-8,12,17,26H,9-11,13H2,1-2H3,(H6-,31,32,33,34,36,42,43,44,45);2-6,8,11,17,25H,7,9-10,12H2,1H3,(H5-,28,29,30,31,33,39,40)/b33-28-,36-26-;38-22+;36-25-;35-21+;32-20+/t22-,30-;19-,28-;21-,29-;17-,26-;17-,25-/m11111/s1
InChIKeyIGHJTBJKKZHLFY-ZPTKRJHPSA-N
MW3505.49 g/mol
LogP5.22
Rot. Bonds59

About (6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (PubChem CID 172942162) has the molecular formula C151H144ClN45O27S14 and a molecular weight of 3505.49 g/mol. Its IUPAC name is (6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

Molecular Properties

Compound Name(6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
PubChem CID172942162
Molecular FormulaC151H144ClN45O27S14
Molecular Weight3505.49 g/mol
Exact Mass3501.71
IUPAC Name(6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILESCO/N=C(\C(=O)C[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc4c(ccn4Cc4cc(C(N)=Nc5nccs5)cs4)c3)CS[C@H]12)c1nc(N)sc1Cl.CO/N=C(\C(=O)C[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cn3ccc4n3cc[n+]4Cc3ccc(/C(N)=N/C4CC4)cc3)CS[C@H]12)c1csc(N)n1.[H]/N=C(/c1ccc(C[n+]2ccn3c2ccn3CC2=C(C(=O)[O-])N3C(=O)[C@@H](CC(=O)/C(=N\OC)c4csc(N)n4)[C@H]3SC2)cc1)N1CCCC1.[H]/N=C(\N)c1csc(Cn2ccc3c2ccc[n+]3CC2=C(C(=O)[O-])N3C(=O)[C@@H](CC(=O)/C(=N\OC(C)(C)C(=O)O)c4nsc(N)n4)[C@H]3SC2)c1.[H]/N=C(\N)c1csc(Cn2ccc3c[n+](CC4=C(C(=O)[O-])N5C(=O)[C@@H](CC(=O)/C(=N\OC)c6nsc(N)n6)[C@H]5SC4)ccc32)c1
InChIInChI=1S/C32H33N9O5S2.C31H26ClN9O5S4.C31H31N9O5S2.C30H29N9O7S3.C27H25N9O5S3/c1-46-36-26(23-18-48-32(34)35-23)24(42)14-22-29(43)41-27(31(44)45)21(17-47-30(22)41)16-39-11-8-25-38(12-13-40(25)39)15-19-4-6-20(7-5-19)28(33)37-9-2-3-10-37;1-46-38-22(23-25(32)50-30(34)36-23)21(42)9-19-27(43)41-24(29(44)45)17(14-49-28(19)41)11-39-5-3-20-15(10-39)2-6-40(20)12-18-8-16(13-48-18)26(33)37-31-35-4-7-47-31;1-45-36-25(22-16-47-31(33)35-22)23(41)12-21-28(42)40-26(30(43)44)19(15-46-29(21)40)14-38-9-8-24-37(10-11-39(24)38)13-17-2-4-18(5-3-17)27(32)34-20-6-7-20;1-30(2,28(44)45)46-35-21(24-34-29(33)49-36-24)20(40)9-17-25(41)39-22(27(42)43)15(13-48-26(17)39)10-37-6-3-4-18-19(37)5-7-38(18)11-16-8-14(12-47-16)23(31)32;1-41-32-20(23-31-27(30)44-33-23)19(37)7-17-24(38)36-21(26(39)40)15(12-43-25(17)36)9-34-4-3-18-13(8-34)2-5-35(18)10-16-6-14(11-42-16)22(28)29/h4-8,11-13,18,22,30,33H,2-3,9-10,14-17H2,1H3,(H2-,34,35,44,45);2-8,10,13,19,28H,9,11-12,14H2,1H3,(H4-,33,34,35,36,37,44,45);2-5,8-11,16,20-21,29H,6-7,12-15H2,1H3,(H4-,32,33,34,35,43,44);3-8,12,17,26H,9-11,13H2,1-2H3,(H6-,31,32,33,34,36,42,43,44,45);2-6,8,11,17,25H,7,9-10,12H2,1H3,(H5-,28,29,30,31,33,39,40)/b33-28-,36-26-;38-22+;36-25-;35-21+;32-20+/t22-,30-;19-,28-;21-,29-;17-,26-;17-,25-/m11111/s1
InChIKeyIGHJTBJKKZHLFY-ZPTKRJHPSA-N
XLogP5.22
TPSA1022.48 Ų
H-Bond Donors13
H-Bond Acceptors70
Rotatable Bonds59
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003505.49
LogP ≤ 55.22
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1070

Analyze (6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate with MolForge

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Related Compounds

(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 172955992
(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[2-chloro-6-fluoro-4-[N'-(oxan-4-yloxy)carbamimidoyl]phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[[2-chloro-6-fluoro-4-[N'-(oxan-4-yloxy)carbamimidoyl]phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;bis((6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[2-chloro-6-fluoro-4-[N'-(oxan-4-yloxy)carbamimidoyl]phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate)
CID 172939583
(6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[2,3-c]pyridin-6-ium-6-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 172988005
(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylphenyl)methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 172958215
(6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[[1-[[4-[(Z)-N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 129204303
(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamohydrazonoylphenyl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 172933264
(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoyl-2-chloro-6-fluorophenyl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 172942075
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 129204170
(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[2-chloro-4-(N'-cyclopropylcarbamimidoyl)-6-fluorophenyl]methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 172949714
(6R,7R)-3-[[1-[[4-(4-amino-4-iminobutoxy)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 172955842
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[[1-[[4-[(Z)-N'-(1,3-thiazol-2-yl)carbamimidoyl]phenyl]methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 129204374
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 129204556

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?
The IUPAC name of (6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CID 172942162) is (6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
What is the SMILES notation for (6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?
The canonical SMILES for (6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is CO/N=C(\C(=O)C[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc4c(ccn4Cc4cc(C(N)=Nc5nccs5)cs4)c3)CS[C@H]12)c1nc(N)sc1Cl.CO/N=C(\C(=O)C[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cn3ccc4n3cc[n+]4Cc3ccc(/C(N)=N/C4CC4)cc3)CS[C@H]12)c1csc(N)n1.[H]/N=C(/c1ccc(C[n+]2ccn3c2ccn3CC2=C(C(=O)[O-])N3C(=O)[C@@H](CC(=O)/C(=N\OC)c4csc(N)n4)[C@H]3SC2)cc1)N1CCCC1.[H]/N=C(\N)c1csc(Cn2ccc3c2ccc[n+]3CC2=C(C(=O)[O-])N3C(=O)[C@@H](CC(=O)/C(=N\OC(C)(C)C(=O)O)c4nsc(N)n4)[C@H]3SC2)c1.[H]/N=C(\N)c1csc(Cn2ccc3c[n+](CC4=C(C(=O)[O-])N5C(=O)[C@@H](CC(=O)/C(=N\OC)c6nsc(N)n6)[C@H]5SC4)ccc32)c1.
What is the InChIKey of (6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?
The InChIKey is IGHJTBJKKZHLFY-ZPTKRJHPSA-N. The full InChI is InChI=1S/C32H33N9O5S2.C31H26ClN9O5S4.C31H31N9O5S2.C30H29N9O7S3.C27H25N9O5S3/c1-46-36-26(23-18-48-32(34)35-23)24(42)14-22-29(43)41-27(31(44)45)21(17-47-30(22)41)16-39-11-8-25-38(12-13-40(25)39)15-19-4-6-20(7-5-19)28(33)37-9-2-3-10-37;1-46-38-22(23-25(32)50-30(34)36-23)21(42)9-19-27(43)41-24(29(44)45)17(14-49-28(19)41)11-39-5-3-20-15(10-39)2-6-40(20)12-18-8-16(13-48-18)26(33)37-31-35-4-7-47-31;1-45-36-25(22-16-47-31(33)35-22)23(41)12-21-28(42)40-26(30(43)44)19(15-46-29(21)40)14-38-9-8-24-37(10-11-39(24)38)13-17-2-4-18(5-3-17)27(32)34-20-6-7-20;1-30(2,28(44)45)46-35-21(24-34-29(33)49-36-24)20(40)9-17-25(41)39-22(27(42)43)15(13-48-26(17)39)10-37-6-3-4-18-19(37)5-7-38(18)11-16-8-14(12-47-16)23(31)32;1-41-32-20(23-31-27(30)44-33-23)19(37)7-17-24(38)36-21(26(39)40)15(12-43-25(17)36)9-34-4-3-18-13(8-34)2-5-35(18)10-16-6-14(11-42-16)22(28)29/h4-8,11-13,18,22,30,33H,2-3,9-10,14-17H2,1H3,(H2-,34,35,44,45);2-8,10,13,19,28H,9,11-12,14H2,1H3,(H4-,33,34,35,36,37,44,45);2-5,8-11,16,20-21,29H,6-7,12-15H2,1H3,(H4-,32,33,34,35,43,44);3-8,12,17,26H,9-11,13H2,1-2H3,(H6-,31,32,33,34,36,42,43,44,45);2-6,8,11,17,25H,7,9-10,12H2,1H3,(H5-,28,29,30,31,33,39,40)/b33-28-,36-26-;38-22+;36-25-;35-21+;32-20+/t22-,30-;19-,28-;21-,29-;17-,26-;17-,25-/m11111/s1.
What are the key properties of (6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?
(6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate has a molecular weight of 3505.49 g/mol, XLogP of 5.22, 59 rotatable bonds, 13 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-[(3Z)-3-(2-amino-5-chloro-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-[N'-(1,3-thiazol-2-yl)carbamimidoyl]thiophen-2-yl]methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(5-amino-1,2,4-thiadiazol-3-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-3-[[1-[[4-(N'-cyclopropylcarbamimidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-methoxyimino-2-oxopropyl]-8-oxo-3-[[1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]imidazo[1,2-b]pyrazol-1-ium-5-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is sourced from PubChem (CID 172942162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).