 | | SER | | Name: | SERINE | | Formula: | C3 H7 N O3 | | SMILES: | O=C(O)C(N)CO | | InChi: | InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | L-serine |
|
 | | UT8 | | Name: | 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde | | Formula: | C16 H15 N O5 S | | SMILES: | COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3 | | Definition date: | 2021-03-17 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
|
 | | MOX | | Name: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid | | Formula: | C18 H18 N2 O9 | | SMILES: | O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O | | InChi: | InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17+,18-/m0/s1 | | Synonyms: | MOXALACTAM DERIVATIVE (open form) | | Definition date: | 2000-08-11 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid |
|
 | | ALV | | Name: | (2S)-2-aminopropane-1,1-diol | | Formula: | C3 H9 N O2 | | SMILES: | OC(O)C(N)C | | InChi: | InChI=1S/C3H9NO2/c1-2(4)3(5)6/h2-3,5-6H,4H2,1H3/t2-/m0/s1 | | Definition date: | 2010-10-07 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-aminopropane-1,1-diol |
|
 | | SET | | Name: | AMINOSERINE | | Formula: | C3 H8 N2 O2 | | SMILES: | O=C(N)C(N)CO | | InChi: | InChI=1S/C3H8N2O2/c4-2(1-6)3(5)7/h2,6H,1,4H2,(H2,5,7)/t2-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | L-serinamide |
|
 | | LW1 | | Name: | thiophene-2-carbaldehyde | | Formula: | C5 H4 O S | | SMILES: | C(c1cccs1)=O | | InChi: | InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H | | Definition date: | 2018-04-20 | | Last modified: | 2024-09-27 | | Release date: | 2019-06-12 | | Identifier: | thiophene-2-carbaldehyde |
|
 | | T8A | | Name: | 1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one | | Formula: | C17 H17 N O | | SMILES: | c2cc3C(c1ccccc1)CN(C(C)=O)Cc3cc2 | | InChi: | InChI=1S/C17H17NO/c1-13(19)18-11-15-9-5-6-10-16(15)17(12-18)14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1 | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | 1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one |
|
 | | MOZ | | Name: | (2Z)-2-amino-3-hydroxybut-2-enoic acid | | Formula: | C4 H7 N O3 | | SMILES: | O=C(O)C(=C(O)C)N | | InChi: | InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h6H,5H2,1H3,(H,7,8)/b3-2- | | Definition date: | 2013-10-10 | | Last modified: | 2024-09-27 | | Release date: | 2014-12-10 | | Identifier: | (2Z)-2-amino-3-hydroxybut-2-enoic acid |
|
 | | SZF | | Name: | 1-methoxy-N-methyl-L-tryptophan | | Formula: | C13 H16 N2 O3 | | SMILES: | O=C(O)C(NC)Cc1cn(OC)c2ccccc21 | | InChi: | InChI=1S/C13H16N2O3/c1-14-11(13(16)17)7-9-8-15(18-2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m0/s1 | | Definition date: | 2022-07-13 | | Last modified: | 2024-09-27 | | Release date: | 2023-05-24 | | Identifier: | 1-methoxy-N-methyl-L-tryptophan |
|
 | | N4F | | Name: | 1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one | | Formula: | C9 H12 N2 O S | | SMILES: | CCC(=O)N1CCc2ncsc2C1 | | InChi: | InChI=1S/C9H12N2OS/c1-2-9(12)11-4-3-7-8(5-11)13-6-10-7/h6H,2-5H2,1H3 | | Definition date: | 2022-08-11 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-28 | | Identifier: | 1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one |
|
 | | T8D | | Name: | 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one | | Formula: | C10 H13 Cl N2 O3 S2 | | SMILES: | N1(CCN(CC1)C(C)=O)S(c2ccc(s2)Cl)(=O)=O | | InChi: | InChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3 | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
|
 | | ALY | | Name: | N(6)-ACETYLLYSINE | | Formula: | C8 H16 N2 O3 | | SMILES: | O=C(NCCCCC(N)C(=O)O)C | | InChi: | InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 | | Definition date: | 2000-08-18 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-acetyl-L-lysine |
|
 | | TOO | | Name: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form | | Formula: | C61 H81 N13 O7 | | SMILES: | CC(NC)C(=O)NC(C1CCCCC1)C(=O)N1CC(CC1C(=O)NC1CCCc2ccccc21)NC(=O)COCCN1CCN(CC1)CCCC(=O)N1CCCC(C1)n1nc(c2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1 | | InChi: | InChI=1S/C61H81N13O7/c1-41(63-2)59(77)68-56(43-15-5-3-6-16-43)61(79)73-37-45(36-51(73)60(78)67-50-22-11-17-42-14-9-10-21-49(42)50)66-52(75)39-80-35-34-71-32-30-70(31-33-71)28-13-23-53(76)72-29-12-18-46(38-72)74-58-54(57(62)64-40-65-58)55(69-74)44-24-26-48(27-25-44)81-47-19-7-4-8-20-47/h4,7-10,14,19-21,24-27,40-41,43,45-46,50-51,56,63H,3,5-6,11-13,15-18,22-23,28-39H2,1-2H3,(H,66,75)(H,67,78)(H,68,77)(H2,62,64,65)/t41-,45-,46-,50-,51+,56+/m1/s1 | | Definition date: | 2022-07-27 | | Last modified: | 2024-09-27 | | Release date: | 2023-03-08 | | Identifier: | (4R)-4-(2-{2-[4-(4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobutyl)piperazin-1-yl]ethoxy}acetamido)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide |
|
 | | OCP | | Name: | OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER | | Formula: | C29 H59 N2 O7 P | | SMILES: | O=P(O)(OCC(OC(=O)NCCCCCCCC)COC(=O)NCCCCCCCC)CCCCCCCC | | InChi: | InChI=1S/C29H59N2O7P/c1-4-7-10-13-16-19-22-30-28(32)36-25-27(38-29(33)31-23-20-17-14-11-8-5-2)26-37-39(34,35)24-21-18-15-12-9-6-3/h27H,4-26H2,1-3H3,(H,30,32)(H,31,33)(H,34,35)/t27-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2,3-bis[(octylcarbamoyl)oxy]propyl hydrogen (S)-octylphosphonate |
|
 | | R8F | | Name: | (1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde | | Formula: | C14 H11 N5 O3 | | SMILES: | O=CC1=CO[CH]2C[CH]1C(=CN2c3ncnc4nc[nH]c34)C=O | | InChi: | InChI=1S/C14H11N5O3/c20-3-8-2-19(11-1-10(8)9(4-21)5-22-11)14-12-13(16-6-15-12)17-7-18-14/h2-7,10-11H,1H2,(H,15,16,17,18)/t10-,11+/m0/s1 | | Synonyms: | (1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde | | Definition date: | 2022-11-25 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-29 | | Identifier: | (1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde |
|
 | | PMP | | Name: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE | | Formula: | C8 H13 N2 O5 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1CN)C | | InChi: | InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14) | | Synonyms: | PYRIDOXAMINE-5'-PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | [4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate |
|
 | | PMQ | | Name: | benzylcarbamic acid | | Formula: | C8 H9 N O2 | | SMILES: | O=C(O)NCc1ccccc1 | | InChi: | InChI=1S/C8H9NO2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11) | | Definition date: | 2012-03-15 | | Last modified: | 2024-09-27 | | Identifier: | benzylcarbamic acid |
|
 | | OCQ | | Name: | (3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXOBUTYL]PYRROLIDIN-2-ONE | | Formula: | C8 H14 N2 O3 | | SMILES: | O=C1NCCC1CC(N)C(=O)CO | | InChi: | InChI=1S/C8H14N2O3/c9-6(7(12)4-11)3-5-1-2-10-8(5)13/h5-6,11H,1-4,9H2,(H,10,13)/t5-,6-/m0/s1 | | Definition date: | 2007-06-07 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-[(2S)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one |
|
 | | OCR | | Name: | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid | | Formula: | C20 H30 O3 | | SMILES: | O=C(C=CC=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC | | InChi: | InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+ | | Synonyms: | 15-oxo-eicosatetraenoic acid | | Definition date: | 2008-03-17 | | Last modified: | 2024-09-27 | | Identifier: | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid |
|
 | | R8H | | Name: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide | | Formula: | C28 H30 N4 O4 | | SMILES: | O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CCC(=O)N2Cc3ccccc3)C(=O)NCc4ccccn4 | | InChi: | InChI=1S/C28H30N4O4/c33-25-15-14-24(32(25)19-21-11-5-2-6-12-21)27(35)31-23(17-20-9-3-1-4-10-20)26(34)28(36)30-18-22-13-7-8-16-29-22/h1-13,16,23-24,26,34H,14-15,17-19H2,(H,30,36)(H,31,35)/t23-,24-,26+/m1/s1 | | Definition date: | 2020-09-18 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-07 | | Identifier: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide |
|
 | | MBQ | | Name: | 2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE | | Formula: | C20 H22 N2 O6 | | SMILES: | O=C(O)C(N)Cc2c(O)cc(O)c(NC(=CC=O)COc1ccc(cc1)C)c2 | | InChi: | InChI=1S/C20H22N2O6/c1-12-2-4-15(5-3-12)28-11-14(6-7-23)22-17-9-13(8-16(21)20(26)27)18(24)10-19(17)25/h2-7,9-10,16,22,24-25H,8,11,21H2,1H3,(H,26,27)/b14-6+/t16-/m0/s1 | | Definition date: | 2004-03-04 | | Last modified: | 2024-09-27 | | Identifier: | 2-hydroxy-5-({(1E)-1-[(4-methylphenoxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine |
|
 | | BEF | | Name: | BERYLLIUM TRIFLUORIDE ION | | Formula: | Be F3 | | SMILES: | F[Be-](F)F | | InChi: | InChI=1S/Be.3FH/h | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | trifluoroberyllate(1-) |
|
 | | SEZ | | Name: | 1,3,5-trimethylbenzene | | Formula: | C9 H12 | | SMILES: | Cc1cc(C)cc(C)c1 | | InChi: | InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 | | Synonyms: | mesitylene | | Definition date: | 2020-11-13 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-02 | | Identifier: | 1,3,5-trimethylbenzene |
|
 | | SZI | | Name: | [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | | Formula: | C17 H14 B F6 N2 O3 S | | SMILES: | O[B](O)(O)CSc1nc2ccccc2n1Cc3ccc(cc3C(F)(F)F)C(F)(F)F | | InChi: | InChI=1S/C17H14BF6N2O3S/c19-16(20,21)11-6-5-10(12(7-11)17(22,23)24)8-26-14-4-2-1-3-13(14)25-15(26)30-9-18(27,28)29/h1-7,27-29H,8-9H2 | | Definition date: | 2022-12-20 | | Last modified: | 2024-09-27 | | Release date: | 2024-07-10 | | Identifier: | [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-tris(oxidanyl)boron |
|
 | | RM9 | | Name: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid | | Formula: | C10 H8 B F O4 | | SMILES: | B1(Oc3c(C(O)=O)c(ccc3C2C1C2)F)O | | InChi: | InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1 | | Definition date: | 2019-11-24 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid |
|
