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A1EPV

A1EPV
Name:	1-[3-(3,5-dimethoxyphenyl)quinolin-7-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea
Formula:	C26 H22 F3 N3 O4
SMILES:	COc1cc(OC)cc(c1)c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2
InChi:	InChI=1S/C26H22F3N3O4/c1-34-22-10-18(11-23(13-22)35-2)19-9-17-5-6-20(12-24(17)30-15-19)32-25(33)31-14-16-3-7-21(8-4-16)36-26(27,28)29/h3-13,15H,14H2,1-2H3,(H2,31,32,33)
Definition date:	2025-04-29
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	1-[3-(3,5-dimethoxyphenyl)quinolin-7-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea

A1ESF

A1ESF
Name:	~{N}-[5-[[4-[[(3~{R},3~{a}~{R},6~{a}~{S})-3-methoxy-2,3,3~{a},6~{a}-tetrahydrofuro[3,2-b]furan-6-yl]oxy]-5-chloranyl-pyrimidin-2-yl]amino]-2-[[(2~{R},8~{R})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide
Formula:	C30 H33 Cl F N7 O6
SMILES:	CO[CH]1CO[CH]2[CH]1OC=C2Oc3nc(Nc4ccc(OC[C]56CCCN5C[CH](F)C6)c(NC(=O)c7cnn(C)c7)c4)ncc3Cl
InChi:	InChI=1S/C30H33ClFN7O6/c1-38-12-17(10-34-38)27(40)36-21-8-19(4-5-22(21)44-16-30-6-3-7-39(30)13-18(32)9-30)35-29-33-11-20(31)28(37-29)45-24-15-43-25-23(41-2)14-42-26(24)25/h4-5,8,10-12,15,18,23,25-26H,3,6-7,9,13-14,16H2,1-2H3,(H,36,40)(H,33,35,37)/t18-,23-,25-,26-,30-/m1/s1
Definition date:	2025-06-25
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	~{N}-[5-[[4-[[(3~{R},3~{a}~{R},6~{a}~{S})-3-methoxy-2,3,3~{a},6~{a}-tetrahydrofuro[3,2-b]furan-6-yl]oxy]-5-chloranyl-pyrimidin-2-yl]amino]-2-[[(2~{R},8~{R})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide

A1EVT

A1EVT
Name:	(3~{R})-7-[(4-fluorophenyl)methyl]-3-(2-methoxyethoxymethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinolin-1-one
Formula:	C28 H27 F4 N O3
SMILES:	COCCOC[CH]1Cc2ccc(Cc3ccc(F)cc3)cc2C(=O)N1Cc4ccc(cc4)C(F)(F)F
InChi:	InChI=1S/C28H27F4NO3/c1-35-12-13-36-18-25-16-22-7-2-21(14-19-5-10-24(29)11-6-19)15-26(22)27(34)33(25)17-20-3-8-23(9-4-20)28(30,31)32/h2-11,15,25H,12-14,16-18H2,1H3/t25-/m1/s1
Definition date:	2025-08-19
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	(3~{R})-7-[(4-fluorophenyl)methyl]-3-(2-methoxyethoxymethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinolin-1-one

A1B9V

A1B9V
Name:	3-[(1S,3S)-1-oxo-2,3-dihydro-1H-1lambda~4~-benzothiophen-3-yl]-L-alanine
Formula:	C11 H13 N O3 S
SMILES:	O=C(O)C(N)CC1CS(=O)c2ccccc21
InChi:	InChI=1S/C11H13NO3S/c12-9(11(13)14)5-7-6-16(15)10-4-2-1-3-8(7)10/h1-4,7,9H,5-6,12H2,(H,13,14)/t7-,9+,16+/m1/s1
Definition date:	2025-04-14
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	3-[(1S,3S)-1-oxo-2,3-dihydro-1H-1lambda~4~-benzothiophen-3-yl]-L-alanine

A1C06

A1C06
Name:	(2R)-3-[(1M)-5'-benzyl-2'-carbamoyl[1,1'-biphenyl]-3-yl]-2-methylpropanoic acid
Formula:	C24 H23 N O3
SMILES:	O=C(N)c1ccc(cc1c1cccc(CC(C)C(=O)O)c1)Cc1ccccc1
InChi:	InChI=1S/C24H23NO3/c1-16(24(27)28)12-18-8-5-9-20(14-18)22-15-19(10-11-21(22)23(25)26)13-17-6-3-2-4-7-17/h2-11,14-16H,12-13H2,1H3,(H2,25,26)(H,27,28)/t16-/m1/s1
Definition date:	2025-11-14
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	(2R)-3-[(1M)-5'-benzyl-2'-carbamoyl[1,1'-biphenyl]-3-yl]-2-methylpropanoic acid

A1C15

A1C15
Name:	methyl 2-[(8R)-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzothiazole-6-carboxylate
Formula:	C15 H10 N4 O2 S
SMILES:	O=C(OC)c1ccc2nc(sc2c1)c1cnn2cccnc21
InChi:	InChI=1S/C15H10N4O2S/c1-21-15(20)9-3-4-11-12(7-9)22-14(18-11)10-8-17-19-6-2-5-16-13(10)19/h2-8H,1H3
Definition date:	2025-12-03
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	methyl 2-[(8R)-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzothiazole-6-carboxylate

A1C4S

A1C4S
Name:	N-{6-[(3R)-2,6-dioxopiperidin-3-yl]naphthalen-1-yl}-N'-{2-[6-(trifluoromethyl)-1-benzothiophen-2-yl]propan-2-yl}urea
Formula:	C28 H24 F3 N3 O3 S
SMILES:	O=C1NC(=O)CCC1c1ccc2c(c1)cccc2NC(=O)NC(C)(C)c1cc2ccc(cc2s1)C(F)(F)F
InChi:	InChI=1S/C28H24F3N3O3S/c1-27(2,23-13-17-6-8-18(28(29,30)31)14-22(17)38-23)34-26(37)32-21-5-3-4-15-12-16(7-9-19(15)21)20-10-11-24(35)33-25(20)36/h3-9,12-14,20H,10-11H2,1-2H3,(H2,32,34,37)(H,33,35,36)/t20-/m1/s1
Definition date:	2026-01-12
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	N-{6-[(3R)-2,6-dioxopiperidin-3-yl]naphthalen-1-yl}-N'-{2-[6-(trifluoromethyl)-1-benzothiophen-2-yl]propan-2-yl}urea

A1C4W

A1C4W
Name:	PLX-3618
Formula:	C32 H27 N9 O2 S
SMILES:	O=C(Nc1cccc(c1)c1ccc(cc1)C1=NC(CC(N)=O)c2nnc(C)n2c2sc(C)c(C)c21)c1cnn2cccnc21
InChi:	InChI=1S/C32H27N9O2S/c1-17-18(2)44-32-27(17)28(37-25(15-26(33)42)30-39-38-19(3)41(30)32)21-10-8-20(9-11-21)22-6-4-7-23(14-22)36-31(43)24-16-35-40-13-5-12-34-29(24)40/h4-14,16,25H,15H2,1-3H3,(H2,33,42)(H,36,43)/t25-/m0/s1
Definition date:	2026-01-13
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	(8R)-N-{4'-[(6S,10P)-6-(2-amino-2-oxoethyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl][1,1'-biphenyl]-3-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide

A1C9H

A1C9H
Name:	1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(6P)-7-{[2-(dimethylamino)ethyl]amino}-6-(5-fluoro-1H-indol-2-yl)-1-methyl-1H-imidazo[4,5-c]pyridin-2-yl]pyridin-1-ium (non-preferred name)
Formula:	C39 H46 F N12 O13 P2
SMILES:	Fc1cc2cc([NH]c2cc1)c1ncc2nc(n(C)c2c1NCCN(C)C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChi:	InChI=1S/C39H45FN12O13P2/c1-49(2)11-8-42-28-27(23-13-20-12-21(40)4-5-22(20)47-23)43-14-24-30(28)50(3)36(48-24)19-6-9-51(10-7-19)38-33(55)31(53)25(63-38)15-61-66(57,58)65-67(59,60)62-16-26-32(54)34(56)39(64-26)52-18-46-29-35(41)44-17-45-37(29)52/h4-7,9-10,12-14,17-18,25-26,31-34,38-39,53-56H,8,11,15-16H2,1-3H3,(H5,41,42,44,45,48,57,58,59,60)/p+1/t25-,26-,31-,32-,33-,34-,38-,39-/m1/s1
Definition date:	2026-02-27
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(6P)-7-{[2-(dimethylamino)ethyl]amino}-6-(5-fluoro-1H-indol-2-yl)-1-methyl-1H-imidazo[4,5-c]pyridin-2-yl]pyridin-1-ium (non-preferred name)

A1CHR

A1CHR
Name:	(10R,12S)-10,12-dimethyltetradecanoic acid
Formula:	C16 H32 O2
SMILES:	O=C(O)CCCCCCCCC(C)CC(C)CC
InChi:	InChI=1S/C16H32O2/c1-4-14(2)13-15(3)11-9-7-5-6-8-10-12-16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)/t14-,15+/m0/s1
Definition date:	2025-07-02
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	(10R,12S)-10,12-dimethyltetradecanoic acid

A1CHU

A1CHU
Name:	(3R)-3-hydroxy-L-ornithine
Formula:	C5 H12 N2 O3
SMILES:	OC(=O)C(N)C(O)CCN
InChi:	InChI=1S/C5H12N2O3/c6-2-1-3(8)4(7)5(9)10/h3-4,8H,1-2,6-7H2,(H,9,10)/t3-,4+/m1/s1
Definition date:	2025-07-02
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	(3R)-3-hydroxy-L-ornithine

A1DA8

A1DA8
Name:	N-(trifluoroacetyl)-D-phenylalanyl-3-cyclopropyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Formula:	C24 H30 F3 N5 O4
SMILES:	FC(F)(F)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)C=N
InChi:	InChI=1S/C24H30F3N5O4/c25-24(26,27)23(36)32-19(10-14-4-2-1-3-5-14)22(35)31-18(11-15-6-7-15)21(34)30-17(13-28)12-16-8-9-29-20(16)33/h1-5,13,15-19,28H,6-12H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/b28-13-/t16-,17-,18-,19+/m0/s1
Definition date:	2026-03-23
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	N-(trifluoroacetyl)-D-phenylalanyl-3-cyclopropyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

A1ER9

A1ER9
Name:	N-[5-[[4-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-chloranyl-pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]-1-methyl-pyrazole-4-carboxamide
Formula:	C27 H35 Cl N8 O5
SMILES:	CO[CH]1CO[CH]2[CH](CO[CH]12)Oc3nc(Nc4ccc(N(C)CCN(C)C)c(NC(=O)c5cnn(C)c5)c4)ncc3Cl
InChi:	InChI=1S/C27H35ClN8O5/c1-34(2)8-9-35(3)20-7-6-17(10-19(20)32-25(37)16-11-30-36(4)13-16)31-27-29-12-18(28)26(33-27)41-22-15-40-23-21(38-5)14-39-24(22)23/h6-7,10-13,21-24H,8-9,14-15H2,1-5H3,(H,32,37)(H,29,31,33)/t21-,22-,23-,24-/m1/s1
Definition date:	2025-06-24
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	~{N}-[5-[[4-[[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-3-methoxy-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-chloranyl-pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]-1-methyl-pyrazole-4-carboxamide

A1EUI

A1EUI
Name:	5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
Formula:	C20 H20 O7
SMILES:	COc1ccc(cc1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2
InChi:	InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
Synonyms:	Tangeretin
Definition date:	2025-07-29
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one

A1EUN

A1EUN
Name:	(3S)-3-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione
Formula:	C24 H21 N3 O4
SMILES:	COc1ccc(Cn2cc(cn2)c3ccc4c(occ4[CH]5CCC(=O)NC5=O)c3)cc1
InChi:	InChI=1S/C24H21N3O4/c1-30-18-5-2-15(3-6-18)12-27-13-17(11-25-27)16-4-7-19-21(14-31-22(19)10-16)20-8-9-23(28)26-24(20)29/h2-7,10-11,13-14,20H,8-9,12H2,1H3,(H,26,28,29)/t20-/m0/s1
Definition date:	2025-07-30
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	(3~{S})-3-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione

A1EUW

A1EUW
Name:	Artemisinin
Formula:	C15 H22 O5
SMILES:	C[CH]1CC[CH]2[CH](C)C(=O)O[CH]3O[C]4(C)CC[CH]1[C]23OO4
InChi:	InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
Synonyms:	(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
Definition date:	2025-08-05
Last modified:	2026-04-17
Release date:	2026-04-22

A1JU6

A1JU6
Name:	4-[6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1~{S},5~{R})-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol
Formula:	C33 H34 F3 N5 O2
SMILES:	C[C]12CC[CH](CN(C1)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(c(F)cc36)c7cc(O)cc8ccccc78)N2
InChi:	InChI=1S/C33H34F3N5O2/c1-32-9-7-21(39-32)16-40(17-32)30-25-13-26(35)27(24-12-22(42)11-19-5-2-3-6-23(19)24)28(36)29(25)37-31(38-30)43-18-33-8-4-10-41(33)15-20(34)14-33/h2-3,5-6,11-13,20-21,39,42H,4,7-10,14-18H2,1H3/t20-,21-,32+,33+/m1/s1
Synonyms:	HYDROXYETHYLAMINE BACE INHIBITOR
Definition date:	2025-11-26
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	4-[6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1~{S},5~{R})-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol

A1JU7

A1JU7
Name:	4-[6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-chloranyl-naphthalen-2-ol
Formula:	C31 H30 Cl F3 N4 O3
SMILES:	Oc1cc2cccc(Cl)c2c(c1)c3c(F)cc4c(nc(OC[C]56CCCN5C[CH](F)C6)nc4c3F)N7CCCOCC7
InChi:	InChI=1S/C31H30ClF3N4O3/c32-23-5-1-4-18-12-20(40)13-21(25(18)23)26-24(34)14-22-28(27(26)35)36-30(37-29(22)38-7-3-10-41-11-9-38)42-17-31-6-2-8-39(31)16-19(33)15-31/h1,4-5,12-14,19,40H,2-3,6-11,15-17H2/t19-,31+/m1/s1
Synonyms:	HYDROXYETHYLAMINE BACE INHIBITOR
Definition date:	2025-11-26
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	4-[6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-chloranyl-naphthalen-2-ol

A1JU8

A1JU8
Name:	(6~{S})-4-[7-(8-ethynyl-3-oxidanyl-naphthalen-1-yl)-6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-6-methyl-1,4-oxazepan-6-ol
Formula:	C34 H33 F3 N4 O4
SMILES:	C[C]1(O)COCCN(C1)c2nc(OC[C]34CCCN3C[CH](F)C4)nc5c(F)c(c(F)cc25)c6cc(O)cc7cccc(C#C)c67
InChi:	InChI=1S/C34H33F3N4O4/c1-3-20-6-4-7-21-12-23(42)13-24(27(20)21)28-26(36)14-25-30(29(28)37)38-32(39-31(25)40-10-11-44-18-33(2,43)17-40)45-19-34-8-5-9-41(34)16-22(35)15-34/h1,4,6-7,12-14,22,42-43H,5,8-11,15-19H2,2H3/t22-,33+,34+/m1/s1
Synonyms:	HYDROXYETHYLAMINE BACE INHIBITOR
Definition date:	2025-11-26
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	(6~{S})-4-[7-(8-ethynyl-3-oxidanyl-naphthalen-1-yl)-6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-6-methyl-1,4-oxazepan-6-ol

A1JU9

A1JU9
Name:	(1~{S},5~{S},6~{R})-3-[7-(8-ethynyl-3-oxidanyl-naphthalen-1-yl)-6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octan-6-ol
Formula:	C36 H36 F3 N5 O3
SMILES:	C[C]12C[CH](O)[C](C)(CN(C1)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(c(F)cc36)c7cc(O)cc8cccc(C#C)c78)N2
InChi:	InChI=1S/C36H36F3N5O3/c1-4-20-7-5-8-21-11-23(45)12-24(28(20)21)29-26(38)13-25-31(30(29)39)40-33(47-19-36-9-6-10-44(36)16-22(37)14-36)41-32(25)43-17-34(2)15-27(46)35(3,18-43)42-34/h1,5,7-8,11-13,22,27,42,45-46H,6,9-10,14-19H2,2-3H3/t22-,27-,34+,35+,36+/m1/s1
Synonyms:	HYDROXYETHYLAMINE BACE INHIBITOR
Definition date:	2025-11-26
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	(1~{S},5~{S},6~{R})-3-[7-(8-ethynyl-3-oxidanyl-naphthalen-1-yl)-6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octan-6-ol

A1JVF

A1JVF
Name:	1-[2-(3-oxidanylidene-6-phenyl-1,4-benzoxazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid
Formula:	C23 H24 N2 O5
SMILES:	OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)COc3ccc(cc23)c4ccccc4
InChi:	InChI=1S/C23H24N2O5/c26-20(24-23(22(28)29)11-5-2-6-12-23)14-25-18-13-17(16-7-3-1-4-8-16)9-10-19(18)30-15-21(25)27/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,24,26)(H,28,29)
Definition date:	2025-11-27
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	1-[2-(3-oxidanylidene-6-phenyl-1,4-benzoxazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid

A1JVG

A1JVG
Name:	1-[2-(2-oxidanylidene-5-phenyl-1,3-benzoxazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid
Formula:	C22 H22 N2 O5
SMILES:	OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)Oc3ccc(cc23)c4ccccc4
InChi:	InChI=1S/C22H22N2O5/c25-19(23-22(20(26)27)11-5-2-6-12-22)14-24-17-13-16(15-7-3-1-4-8-15)9-10-18(17)29-21(24)28/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,25)(H,26,27)
Synonyms:	1-[2-(2-oxo-5-phenyl-2,3-dihydro-1,3-benzoxazol-3-yl)acetamido]cyclohexane-1-carboxylic acid
Definition date:	2025-11-27
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	1-[2-(2-oxidanylidene-5-phenyl-1,3-benzoxazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid

A1JVH

A1JVH
Name:	1-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid
Formula:	C16 H17 Cl N2 O4 S
SMILES:	OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)Sc3ccc(Cl)cc23
InChi:	InChI=1S/C16H17ClN2O4S/c17-10-4-5-12-11(8-10)19(15(23)24-12)9-13(20)18-16(14(21)22)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,20)(H,21,22)
Synonyms:	1-[2-(5-chloro-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]cyclohexane-1-carboxylic acid
Definition date:	2025-11-27
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	1-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid

A1L9M

A1L9M
Name:	Acylated Cefovecin
Formula:	C17 H23 N5 O6 S2
SMILES:	CON=C(C(=O)N[CH](C=O)[CH]1SC[CH](CCCCO)C(=N1)C(O)=O)c2csc(N)n2
InChi:	InChI=1S/C17H23N5O6S2/c1-28-22-13(11-8-30-17(18)20-11)14(25)19-10(6-24)15-21-12(16(26)27)9(7-29-15)4-2-3-5-23/h6,8-10,15,23H,2-5,7H2,1H3,(H2,18,20)(H,19,25)(H,26,27)/b22-13-/t9-,10-,15+/m0/s1
Synonyms:	(2~{R},5~{R})-2-[(1~{S})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-(4-oxidanylbutyl)-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid
Definition date:	2025-05-08
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	(2~{R},5~{R})-2-[(1~{S})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-(4-oxidanylbutyl)-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

A1L9N

A1L9N
Name:	Acylated Cefotetan
Formula:	C15 H17 N3 O8 S3
SMILES:	CO[C](NC(=O)[CH]1S[CH](S1)[CH](C(N)=O)C(O)=O)(C=O)[CH]2SCC(=C)C(=N2)C(O)=O
InChi:	InChI=1S/C15H17N3O8S3/c1-5-3-27-14(17-7(5)11(24)25)15(4-19,26-2)18-9(21)13-28-12(29-13)6(8(16)20)10(22)23/h4,6,12-14H,1,3H2,2H3,(H2,16,20)(H,18,21)(H,22,23)(H,24,25)/t6?,12?,13-,14-,15-/m0/s1
Synonyms:	(2~{S})-2-[(1~{S})-1-[[4-[1-azanyl-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]-1,3-dithietan-2-yl]carbonylamino]-1-methoxy-2-oxidanylidene-ethyl]-5-methylidene-2~{H}-1,3-thiazine-4-carboxylic acid
Definition date:	2025-05-13
Last modified:	2026-04-17
Release date:	2026-04-22
Identifier:	(2~{S})-2-[(1~{S})-1-[[4-[1-azanyl-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]-1,3-dithietan-2-yl]carbonylamino]-1-methoxy-2-oxidanylidene-ethyl]-5-methylidene-2~{H}-1,3-thiazine-4-carboxylic acid

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