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YOZ
YOZ
Name:(2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide
Formula:C12 H22 N4 O3
SMILES:OC1(N)CCC(C(=O)NC2CCNCC2)N(C=O)C1
InChi:InChI=1S/C12H22N4O3/c13-12(19)4-1-10(16(7-12)8-17)11(18)15-9-2-5-14-6-3-9/h8-10,14,19H,1-7,13H2,(H,15,18)/t10-,12+/m0/s1
Synonyms:Relebactam, the acylated, desulfated, imine-hydrolysis intermediate
Definition date:2023-02-15
Last modified:2024-09-27
Release date:2023-08-09
Identifier:(2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide
SOA
SOA
Name:ISATOIC ANHYDRIDE
Formula:C7 H9 N O
SMILES:OCc1ccccc1N
InChi:InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2-aminophenyl)methanol
4HT
4HT
Name:4-HYDROXYTRYPTOPHAN
Formula:C11 H12 N2 O3
SMILES:O=C(O)C(N)Cc2c1c(cccc1O)nc2
InChi:InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1
Definition date:2004-01-20
Last modified:2024-09-27
Identifier:4-hydroxy-L-tryptophan
X6E
X6E
Name:2-ethyl-D-norvaline
Formula:C7 H15 N O2
SMILES:CCCC(N)(CC)C(=O)O
InChi:InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1
Definition date:2023-06-02
Last modified:2024-09-27
Release date:2023-08-16
Identifier:2-ethyl-D-norvaline
OMC
OMC
Name:O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H16 N3 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2OC)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O8P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:2'-O-methylcytidine 5'-(dihydrogen phosphate)
T2G
T2G
Name:1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
Formula:C14 H20 N2 O
SMILES:N2(CCN(Cc1cccc(c1)C)CC2)C(=O)C
InChi:InChI=1S/C14H20N2O/c1-12-4-3-5-14(10-12)11-15-6-8-16(9-7-15)13(2)17/h3-5,10H,6-9,11H2,1-2H3
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
UAL
UAL
Name:(2Z)-2-amino-3-(carbamoylamino)prop-2-enoic acid
Formula:C4 H7 N3 O3
SMILES:NC(=O)NC=C(N)C(O)=O
InChi:InChI=1S/C4H7N3O3/c5-2(3(8)9)1-7-4(6)10/h1H,5H2,(H,8,9)(H3,6,7,10)/b2-1-
Definition date:2010-02-05
Last modified:2024-09-27
Identifier:(Z)-3-(aminocarbonylamino)-2-azanyl-prop-2-enoic acid
YBZ
YBZ
Name:(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
Formula:C9 H7 N3 S
SMILES:N=Cc1sc(nn1)c2ccccc2
InChi:InChI=1S/C9H7N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
Definition date:2023-06-13
Last modified:2024-09-27
Release date:2023-07-26
Identifier:(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
NRL
NRL
Name:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine
Formula:C12 H17 N5 O5
SMILES:OC(=O)CN(C1COCC1N)C(=O)CN1C=CC(N)=NC1=O
InChi:InChI=1S/C12H17N5O5/c13-7-5-22-6-8(7)17(4-11(19)20)10(18)3-16-2-1-9(14)15-12(16)21/h1-2,7-8H,3-6,13H2,(H,19,20)(H2,14,15,21)/t7-,8-/m0/s1
Definition date:2022-04-07
Last modified:2024-09-27
Release date:2023-04-05
Identifier:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine
MK7
MK7
Name:(2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide
Formula:C12 H22 N4 O6 S
SMILES:O=CN2C(C(=O)NC1CCNCC1)CCC(NOS(=O)(=O)O)C2
InChi:InChI=1S/C12H22N4O6S/c17-8-16-7-10(15-22-23(19,20)21)1-2-11(16)12(18)14-9-3-5-13-6-4-9/h8-11,13,15H,1-7H2,(H,14,18)(H,19,20,21)/t10-,11+/m1/s1
Synonyms:MK-7655, bound form
Definition date:2013-11-27
Last modified:2024-09-27
Release date:2014-02-19
Identifier:(2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide
MK8
MK8
Name:2-methyl-L-norleucine
Formula:C7 H15 N O2
SMILES:O=C(O)C(N)(CCCC)C
InChi:InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1
Definition date:2010-04-16
Last modified:2024-09-27
Identifier:2-methyl-L-norleucine
OMG
OMG
Name:O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE
Formula:C11 H16 N5 O8 P
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3OC)COP(=O)(O)O
InChi:InChI=1S/C11H16N5O8P/c1-22-7-6(17)4(2-23-25(19,20)21)24-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:2'-O-methylguanosine 5'-(dihydrogen phosphate)
T2J
T2J
Name:1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one
Formula:C12 H15 N3 O3
SMILES:N2(c1ccccc1[N+]([O-])=O)CCN(CC2)C(=O)C
InChi:InChI=1S/C12H15N3O3/c1-10(16)13-6-8-14(9-7-13)11-4-2-3-5-12(11)15(17)18/h2-5H,6-9H2,1H3
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:1-[4-(2-nitrophenyl)piperazin-1-yl]ethan-1-one
KYN
KYN
Name:(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
Formula:C10 H12 N2 O3
SMILES:O=C(c1ccccc1N)CC(C(=O)O)N
InChi:InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
Synonyms:L-KYNURENINE
Definition date:2004-05-16
Last modified:2024-09-27
Identifier:(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
OMH
OMH
Name:O-[(S)-hydroxy(methoxy)phosphoryl]-L-serine
Formula:C4 H10 N O6 P
SMILES:O=P(O)(OC)OCC(N)C(=O)O
InChi:InChI=1S/C4H10NO6P/c1-10-12(8,9)11-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
Definition date:2009-02-27
Last modified:2024-09-27
Identifier:O-[(S)-hydroxy(methoxy)phosphoryl]-L-serine
T2L
T2L
Name:(1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:C30 H37 F4 N5 O5 S
SMILES:FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3c(F)cccc3s1)C2(C)C)C(C)(C)C
InChi:InChI=1S/C30H37F4N5O5S/c1-28(2,3)22(38-27(44)30(32,33)34)26(43)39-12-14-18(29(14,4)5)20(39)24(42)36-16(11-13-9-10-35-23(13)41)21(40)25-37-19-15(31)7-6-8-17(19)45-25/h6-8,13-14,16,18,20-22,40H,9-12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,14-,16-,18-,20-,21-,22+/m0/s1
Definition date:2022-07-15
Last modified:2024-09-27
Release date:2022-09-21
Identifier:(1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
NRO
NRO
Name:3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
Formula:C16 H15 N O5
SMILES:[O-][N+](=O)/C(=Cc1oc(cc1)c2cccc(C(=O)O)c2)CCC
InChi:InChI=1S/C16H15NO5/c1-2-4-13(17(20)21)10-14-7-8-15(22-14)11-5-3-6-12(9-11)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19)/b13-10-
Definition date:2008-03-17
Last modified:2024-09-27
Identifier:3-{5-[(1Z)-2-nitropent-1-en-1-yl]furan-2-yl}benzoic acid
ZRT
ZRT
Name:N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide
Formula:C30 H36 N8 O3
SMILES:CN(C)Cc1cn(nc1c1ccccc1)c1nc(ncc1)Nc1cc(NC(=O)CC)c(cc1OC)N1CCOCC1
InChi:InChI=1S/C30H36N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h6-12,17-18,20H,5,13-16,19H2,1-4H3,(H,32,39)(H,31,33,34)
Synonyms:lazertinib, bound form
Definition date:2022-04-18
Last modified:2024-09-27
Release date:2022-11-23
Identifier:N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide
VVW
VVW
Name:1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea
Formula:C32 H35 Cl2 N9 O6
SMILES:C[CH](Oc1cc(NC(=O)Nc2nc(C=O)c(CN3CCN(C)CC3=O)cc2OCCN4CCOCC4)ncc1C#N)c5c(Cl)cncc5Cl
InChi:InChI=1S/C32H35Cl2N9O6/c1-20(30-23(33)15-36-16-24(30)34)49-26-12-28(37-14-22(26)13-35)39-32(46)40-31-27(48-10-7-42-5-8-47-9-6-42)11-21(25(19-44)38-31)17-43-4-3-41(2)18-29(43)45/h11-12,14-16,19-20H,3-10,17-18H2,1-2H3,(H2,37,38,39,40,46)/t20-/m1/s1
Definition date:2023-08-22
Last modified:2024-09-27
Release date:2024-07-31
Identifier:1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea
NRP
NRP
Name:{4-[(4-hydroxyphenyl)methylidene]-2-[(1E)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C17 H19 N3 O4
SMILES:O=C1C(N=C(C(=[N@H])CC(C)C)N1CC(=O)O)=C/c2ccc(O)cc2
InChi:InChI=1S/C17H19N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,18,21H,7,9H2,1-2H3,(H,22,23)/b14-8+,18-13+
Synonyms:CHROMOPHORE (LEU-TYR-GLY)
Definition date:2010-04-07
Last modified:2024-09-27
Identifier:{(4E)-4-(4-hydroxybenzylidene)-2-[(1E)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
XYP
XYP
Name:beta-D-xylopyranose
Formula:C5 H10 O5
SMILES:OC1C(O)COC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
Synonyms:beta-D-xylose
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:beta-D-xylopyranose
KJK
KJK
Name:(3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
Formula:C19 H28 B N3 O5
SMILES:NCCN[CH]1CC[CH](CC1)CC(=O)N[CH]2Cc3cccc(C(O)=O)c3OB2O
InChi:InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12-,14-,16-/m0/s1
Definition date:2019-05-24
Last modified:2024-09-27
Release date:2019-09-11
Identifier:(3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
T2M
T2M
Name:TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE
Formula:C7 H13 N3 O2
SMILES:O=C(OC(C)(C)C)NN(C#N)C
InChi:InChI=1S/C7H13N3O2/c1-7(2,3)12-6(11)9-10(4)5-8/h1-4H3,(H,9,11)
Definition date:2005-02-07
Last modified:2024-09-27
Identifier:tert-butyl 2-cyano-2-methylhydrazinecarboxylate
NRQ
NRQ
Name:{(4Z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C16 H17 N3 O4 S
SMILES:O=C1C(N=C(C(=[N@H])CCSC)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:InChI=1S/C16H17N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,17,20H,6-7,9H2,1H3,(H,21,22)/b13-8-,17-12-
Synonyms:CHROMOPHORE (MET-TYR-GLY)
Definition date:2003-10-07
Last modified:2024-09-27
Identifier:{(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(1Z)-3-(methylsulfanyl)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KYQ
KYQ
Name:(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine
Formula:C9 H16 N2 O5
SMILES:O=C(O)C(N)CCCC/N=C(/C(=O)O)CO
InChi:InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1
Definition date:2008-04-04
Last modified:2024-09-27
Identifier:(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine

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