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YGX
YGX
Name:(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
Formula:C7 H14 O6
SMILES:OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3+,4-,5-,6-,7-/m0/s1
Definition date:2023-06-15
Last modified:2024-09-27
Release date:2023-10-04
Identifier:(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
ZYJ
ZYJ
Name:(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
Formula:C14 H18 N2 O5
SMILES:O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2
InChi:InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1
Definition date:2010-10-22
Last modified:2024-09-27
Identifier:(4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
FFL
FFL
Name:5,5'-difluoroleucines
Formula:C6 H11 F2 N O2
SMILES:N[CH](CC(CF)CF)C(O)=O
InChi:InChI=1S/C6H11F2NO2/c7-2-4(3-8)1-5(9)6(10)11/h4-5H,1-3,9H2,(H,10,11)/t5-/m0/s1
Synonyms:(2S)-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid
Definition date:2021-11-10
Last modified:2024-09-27
Release date:2022-11-16
Identifier:(2~{S})-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid
Y3G
Y3G
Name:5-ethynylpyrimidine-2,4(1H,3H)-dione
Formula:C6 H4 N2 O2
SMILES:C#CC=1C(NC(NC=1)=O)=O
InChi:InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)
Definition date:2021-02-01
Last modified:2024-09-27
Release date:2021-04-07
Identifier:5-ethynylpyrimidine-2,4(1H,3H)-dione
ZYK
ZYK
Name:(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline
Formula:C14 H18 N2 O6
SMILES:O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2
InChi:InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1
Synonyms:3,4-dimethoxybenzamidoxy proline
Definition date:2010-10-22
Last modified:2024-09-27
Identifier:(4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline
NJI
NJI
Name:2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
Formula:C21 H27 Cl2 N3 O3
SMILES:ClCC(=O)N1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1
InChi:InChI=1S/C21H27Cl2N3O3/c22-13-18(27)26-14-20(15-26)5-9-25(10-6-20)19(28)21(7-11-29-12-8-21)24-17-3-1-16(23)2-4-17/h1-4,24H,5-15H2
Definition date:2022-08-17
Last modified:2024-09-27
Release date:2023-09-20
Identifier:2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
FFQ
FFQ
Name:[(1R)-1-hydroxypropyl]phosphonic acid
Formula:C3 H9 O4 P
SMILES:O=P(O)(O)C(O)CC
InChi:InChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1
Synonyms:Fosfomycin, bound form
Definition date:2011-02-18
Last modified:2024-09-27
Identifier:[(1R)-1-hydroxypropyl]phosphonic acid
NJR
NJR
Name:2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide
Formula:C18 H25 Cl2 N3 O2
SMILES:CC(C)(Nc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl
InChi:InChI=1S/C18H25Cl2N3O2/c1-18(2,22-15-5-3-14(20)4-6-15)17(25)23-9-7-13(8-10-23)12-21-16(24)11-19/h3-6,13,22H,7-12H2,1-2H3,(H,21,24)
Synonyms:prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside
Definition date:2022-08-17
Last modified:2024-09-27
Release date:2023-09-20
Identifier:2-chloranyl-~{N}-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide
ZIN
ZIN
Name:7-(pyridin-2-ylmethyl)quinolin-8-ol
Formula:C15 H12 N2 O
SMILES:Oc1c(ccc2cccnc12)Cc3ncccc3
InChi:InChI=1S/C15H12N2O/c18-15-12(10-13-5-1-2-8-16-13)7-6-11-4-3-9-17-14(11)15/h1-9,18H,10H2
Definition date:2009-09-15
Last modified:2024-09-27
Identifier:7-(pyridin-2-ylmethyl)quinolin-8-ol
Y3R
Y3R
Name:ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-3-yl)phenyl]ethyl}carbamoyl)phenyl]propanoyl}hydrazinyl)butanoate
Formula:C28 H31 N3 O5 S
SMILES:O=C(OCC)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c1cccc(c1)c1ccsc1
InChi:InChI=1S/C28H31N3O5S/c1-3-36-27(34)14-13-26(33)31-30-25(32)12-11-20-7-4-5-10-24(20)28(35)29-19(2)21-8-6-9-22(17-21)23-15-16-37-18-23/h4-10,15-19H,3,11-14H2,1-2H3,(H,29,35)(H,30,32)(H,31,33)
Definition date:2023-11-17
Last modified:2024-09-27
Release date:2024-04-03
Identifier:ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-3-yl)phenyl]ethyl}carbamoyl)phenyl]propanoyl}hydrazinyl)butanoate
FFX
FFX
Name:(2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL
Formula:C5 H8 F2 O4
SMILES:FC1OC(F)C(O)C(O)C1O
InChi:InChI=1S/C5H8F2O4/c6-4-2(9)1(8)3(10)5(7)11-4/h1-5,8-10H/t1-,2-,3+,4-,5+
Definition date:2010-10-27
Last modified:2024-09-27
Identifier:(2R,3S,4s,5R,6S)-2,6-difluorotetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
YHA
YHA
Name:Homocitrulline
Formula:C7 H15 N3 O3
SMILES:NC(CCCCNC(N)=O)C(=O)O
InChi:InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
Synonyms:N~6~-carbamoyl-L-lysine
Definition date:2021-03-04
Last modified:2024-09-27
Release date:2022-05-25
Identifier:N~6~-carbamoyl-L-lysine
YUN
YUN
Name:N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
Formula:C17 H15 Br N4 O
SMILES:Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)CC
InChi:InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
Definition date:2013-08-02
Last modified:2024-09-27
Release date:2013-09-11
Identifier:N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
ZIQ
ZIQ
Name:alpha-methyl-L-tryptophan
Formula:C12 H14 N2 O2
SMILES:NC(C(O)=O)(Cc1cnc2c1cccc2)C
InChi:InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
Definition date:2018-06-13
Last modified:2024-09-27
Release date:2020-01-01
Identifier:alpha-methyl-L-tryptophan
Y3T
Y3T
Name:N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide
Formula:C20 H23 Cl F N3 O3
SMILES:Fc1ccc(NC(=O)c2ccc(OC)c(NC(=O)CCCN(C)C)c2)cc1Cl
InChi:InChI=1S/C20H23ClFN3O3/c1-25(2)10-4-5-19(26)24-17-11-13(6-9-18(17)28-3)20(27)23-14-7-8-16(22)15(21)12-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,27)(H,24,26)
Definition date:2023-01-03
Last modified:2024-09-27
Release date:2024-02-28
Identifier:N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide
FG1
FG1
Name:N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID
Formula:C18 H23 Br N4 O7
SMILES:O=C(Nc1ccc(cc1)CCNC(=O)C(NC(=O)CCNC(=O)CBr)CO)C(=O)O
InChi:InChI=1S/C18H23BrN4O7/c19-9-15(26)20-8-6-14(25)23-13(10-24)16(27)21-7-5-11-1-3-12(4-2-11)22-17(28)18(29)30/h1-4,13,24H,5-10H2,(H,20,26)(H,21,27)(H,22,28)(H,23,25)(H,29,30)/t13-/m0/s1
Definition date:2003-04-23
Last modified:2024-09-27
Identifier:N-(bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide
YHD
YHD
Name:N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide
Formula:C20 H25 B N2 O3
SMILES:O=C(NC(Cc1ccc(cc1)c1ccccc1)B(O)O)C1CCCN1C
InChi:InChI=1S/C20H25BN2O3/c1-23-13-5-8-18(23)20(24)22-19(21(25)26)14-15-9-11-17(12-10-15)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,25-26H,5,8,13-14H2,1H3,(H,22,24)/t18-,19-/m0/s1
Definition date:2021-03-08
Last modified:2024-09-27
Release date:2021-09-22
Identifier:N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide
NK
NK
Name:SALICYLALDEHYDE
Formula:C7 H6 O2
SMILES:O=Cc1ccccc1O
InChi:InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
Definition date:2005-11-14
Last modified:2024-09-27
Identifier:2-hydroxybenzaldehyde
ZIZ
ZIZ
Name:N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide
Formula:C15 H21 I3 N6 O6
SMILES:ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI
InChi:InChI=1S/C15H21I3N6O6/c16-1-10(25)19-4-13(28)22-7-23(14(29)5-20-11(26)2-17)9-24(8-22)15(30)6-21-12(27)3-18/h1-9H2,(H,19,25)(H,20,26)(H,21,27)
Definition date:2023-06-26
Last modified:2024-09-27
Release date:2023-11-01
Identifier:~{N}-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide
YHI
YHI
Name:benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Formula:C23 H31 N3 O5
SMILES:O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C
InChi:InChI=1S/C23H31N3O5/c1-23(2)17-11-26(22(30)31-13-14-6-4-3-5-7-14)19(18(17)23)21(29)25-16(12-27)10-15-8-9-24-20(15)28/h3-7,15-19,27H,8-13H2,1-2H3,(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1
Definition date:2021-03-08
Last modified:2024-09-27
Release date:2021-03-17
Identifier:benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
YHJ
YHJ
Name:benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
Formula:C23 H31 N3 O5
SMILES:O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)OCc1ccccc1
InChi:InChI=1S/C23H31N3O5/c27-13-18(11-16-9-10-24-21(16)28)25-22(29)20-19-8-4-7-17(19)12-26(20)23(30)31-14-15-5-2-1-3-6-15/h1-3,5-6,16-20,27H,4,7-14H2,(H,24,28)(H,25,29)/t16-,17-,18-,19-,20-/m0/s1
Definition date:2021-03-08
Last modified:2024-09-27
Release date:2021-03-17
Identifier:benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
ZJ1
ZJ1
Name:(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide
Formula:C25 H35 N3 O3 S
SMILES:CC(C)(C)c1ccc(cc1)N(C(c1cccnc1)C(=O)NC1CCCCC1)S(=O)(=O)CC
InChi:InChI=1S/C25H35N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h9-10,13-18,21,23H,5-8,11-12H2,1-4H3,(H,27,29)/t23-/m1/s1
Definition date:2021-04-29
Last modified:2024-09-27
Release date:2021-12-22
Identifier:(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide
ZZ7
ZZ7
Name:(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:C16 H21 N3 O5 S
SMILES:O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N
InChi:InChI=1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,11+,13-/m1/s1
Synonyms:AMPICILLIN (open form)
Definition date:2009-06-11
Last modified:2024-09-27
Identifier:(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
FGA
FGA
Name:GAMMA-D-GLUTAMIC ACID
Formula:C5 H9 N O4
SMILES:O=C(O)C(N)CCC(=O)O
InChi:InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
Synonyms:D-GLUTAMIC ACID
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:D-glutamic acid
YV2
YV2
Name:(2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name)
Formula:C57 H76 N8 O7
SMILES:CN(C)C(C)(C)/C=C/C(=O)N1CCC2(C1)CCN(C2=O)C(C(C)C)C(=O)NC1Cc2cccc(c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC
InChi:InChI=1S/C57H76N8O7/c1-12-63-46-21-20-40-32-42(46)43(50(63)41-18-14-26-58-48(41)37(4)71-11)33-55(5,6)35-72-53(69)44-19-15-27-65(60-44)52(68)45(31-38-16-13-17-39(40)30-38)59-51(67)49(36(2)3)64-29-25-57(54(64)70)24-28-62(34-57)47(66)22-23-56(7,8)61(9)10/h13-14,16-18,20-23,26,30,32,36-37,44-45,49,60H,12,15,19,24-25,27-29,31,33-35H2,1-11H3,(H,59,67)/b23-22+/t37-,44-,45-,49-,57-/m0/s1
Definition date:2023-02-22
Last modified:2024-09-27
Release date:2023-08-16
Identifier:(2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name)

238582

數據於2025-07-09公開中

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