2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate

C416H88N14O23S3 — CID 172928802

IUPAC2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate
SMILESC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)C[C@@H]2C(=O)N[C@@H]2COC(=O)c2ccnc(-c3cc(OCc4ccccc4)c(OCc4ccccc4)cn3)n2)cs1.CC(C)(O/N=C(\C(=O)C[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1COC(=O)c1ccnc(-c2cc(=O)c(O)c[nH]2)n1)c1csc(N)n1)C(=O)O
InChIInChI=1S/C137H4.C136H6.C66H2.C47H51N7O11S.C24H23N7O12S2.C6H2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-45(2,3)63-42(58)47(7,8)65-54-38(34-27-66-43(52-34)53-44(59)64-46(4,5)6)35(55)21-30-33(51-40(30)56)26-62-41(57)31-19-20-48-39(50-31)32-22-36(60-24-28-15-11-9-12-16-28)37(23-49-32)61-25-29-17-13-10-14-18-29;1-24(2,22(37)38)43-30-18(13-9-44-23(25)29-13)16(33)5-10-14(31(20(10)35)45(39,40)41)8-42-21(36)11-3-4-26-19(28-11)12-6-15(32)17(34)7-27-12;1-3-5-6-4-2/h1H,2H3;1-2H3;1-2H;9-20,22-23,27,30,33H,21,24-26H2,1-8H3,(H,51,56)(H,52,53,59);3-4,6-7,9-10,14,34H,5,8H2,1-2H3,(H2,25,29)(H,27,32)(H,37,38)(H,39,40,41);1-2H/b;;;54-38-;30-18-;/t;;;30-,33+;10-,14+;/m...00./s1
InChIKeyPWIDWFGGQQHFBL-DXXHBVTNSA-N
MW5745.56 g/mol
LogP9.61
Rot. Bonds30

About 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate

2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate (PubChem CID 172928802) has the molecular formula C416H88N14O23S3 and a molecular weight of 5745.56 g/mol. Its IUPAC name is 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Name2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate
PubChem CID172928802
Molecular FormulaC416H88N14O23S3
Molecular Weight5745.56 g/mol
Exact Mass5740.53
IUPAC Name2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate
SMILESC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)C[C@@H]2C(=O)N[C@@H]2COC(=O)c2ccnc(-c3cc(OCc4ccccc4)c(OCc4ccccc4)cn3)n2)cs1.CC(C)(O/N=C(\C(=O)C[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1COC(=O)c1ccnc(-c2cc(=O)c(O)c[nH]2)n1)c1csc(N)n1)C(=O)O
InChIInChI=1S/C137H4.C136H6.C66H2.C47H51N7O11S.C24H23N7O12S2.C6H2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-45(2,3)63-42(58)47(7,8)65-54-38(34-27-66-43(52-34)53-44(59)64-46(4,5)6)35(55)21-30-33(51-40(30)56)26-62-41(57)31-19-20-48-39(50-31)32-22-36(60-24-28-15-11-9-12-16-28)37(23-49-32)61-25-29-17-13-10-14-18-29;1-24(2,22(37)38)43-30-18(13-9-44-23(25)29-13)16(33)5-10-14(31(20(10)35)45(39,40)41)8-42-21(36)11-3-4-26-19(28-11)12-6-15(32)17(34)7-27-12;1-3-5-6-4-2/h1H,2H3;1-2H3;1-2H;9-20,22-23,27,30,33H,21,24-26H2,1-8H3,(H,51,56)(H,52,53,59);3-4,6-7,9-10,14,34H,5,8H2,1-2H3,(H2,25,29)(H,27,32)(H,37,38)(H,39,40,41);1-2H/b;;;54-38-;30-18-;/t;;;30-,33+;10-,14+;/m...00./s1
InChIKeyPWIDWFGGQQHFBL-DXXHBVTNSA-N
XLogP9.61
TPSA523.43 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms456
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005745.56
LogP ≤ 59.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[(Z)-[3-[(2S,3S)-2-[[[2-[4,5-bis(phenylmethoxy)-2-pyridinyl]-1,3-oxazole-4-carbonyl]amino]methyl]-4-oxoazetidin-3-yl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate
CID 172935990
tert-butyl 2-[(Z)-[3-[(2S,3S)-2-[[[1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carbonyl]amino]methyl]-4-oxoazetidin-3-yl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate
CID 172932347
3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne
CID 172917704
tert-butyl 2-[(Z)-[3-[(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate
CID 172952528
tert-butyl 2-methyl-2-[(Z)-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-[(2S,3S)-2-[[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]methyl]-4-oxoazetidin-3-yl]-2-oxopropylidene]amino]oxypropanoate
CID 172945055
(2S,3S)-2-(azidomethyl)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-4-oxoazetidine-1-sulfonic acid;tert-butyl 2-[(Z)-[3-[(2S,3S)-2-(azidomethyl)-4-oxoazetidin-3-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate
CID 172983042
2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[[(2R)-4-(1,5-dihydroxy-4-oxo-2-pyridinyl)-2-methyl-4-oxobutanoyl]amino]methyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid
CID 172927474
benzyl 4-[(Z)-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxo-3-[(3S,4S)-2-oxo-4-[[(4-oxo-5-phenylmethoxy-1H-pyridin-2-yl)methylcarbamoylamino]methyl]azetidin-3-yl]propylidene]amino]oxyoxane-4-carboxylate
CID 172935716
tert-butyl 2-[(Z)-[2-[[(3S)-1-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate
CID 59374387
(3S,4R)-3-[[(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetyl]amino]-2-oxo-4-[[(5R)-2-oxo-5-(phenylmethoxymethyl)-1,3-oxazolidin-3-yl]methyl]azetidine-1-sulfonic acid
CID 118379384
2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[[3-(1,5-dihydroxy-4-oxo-2-pyridinyl)-1,2-oxazole-5-carbonyl]amino]methyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid
CID 172954768
2-[(Z)-[3-[(2R,3S)-2-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]-4-oxo-1-sulfoazetidin-3-yl]-1-(2-amino-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoic acid
CID 172927536

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate?
The IUPAC name of 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate (CID 172928802) is 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate.
What is the SMILES notation for 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate?
The canonical SMILES for 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate is C#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)C[C@@H]2C(=O)N[C@@H]2COC(=O)c2ccnc(-c3cc(OCc4ccccc4)c(OCc4ccccc4)cn3)n2)cs1.CC(C)(O/N=C(\C(=O)C[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1COC(=O)c1ccnc(-c2cc(=O)c(O)c[nH]2)n1)c1csc(N)n1)C(=O)O.
What is the InChIKey of 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate?
The InChIKey is PWIDWFGGQQHFBL-DXXHBVTNSA-N. The full InChI is InChI=1S/C137H4.C136H6.C66H2.C47H51N7O11S.C24H23N7O12S2.C6H2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-45(2,3)63-42(58)47(7,8)65-54-38(34-27-66-43(52-34)53-44(59)64-46(4,5)6)35(55)21-30-33(51-40(30)56)26-62-41(57)31-19-20-48-39(50-31)32-22-36(60-24-28-15-11-9-12-16-28)37(23-49-32)61-25-29-17-13-10-14-18-29;1-24(2,22(37)38)43-30-18(13-9-44-23(25)29-13)16(33)5-10-14(31(20(10)35)45(39,40)41)8-42-21(36)11-3-4-26-19(28-11)12-6-15(32)17(34)7-27-12;1-3-5-6-4-2/h1H,2H3;1-2H3;1-2H;9-20,22-23,27,30,33H,21,24-26H2,1-8H3,(H,51,56)(H,52,53,59);3-4,6-7,9-10,14,34H,5,8H2,1-2H3,(H2,25,29)(H,27,32)(H,37,38)(H,39,40,41);1-2H/b;;;54-38-;30-18-;/t;;;30-,33+;10-,14+;/m...00./s1.
What are the key properties of 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate?
2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate has a molecular weight of 5745.56 g/mol, XLogP of 9.61, 30 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 172928802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).