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J00
J00
Name:2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid
Formula:C10 H9 B O4
SMILES:OB1O[CH](C(=C)C(O)=O)c2ccccc12
InChi:InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m1/s1
Synonyms:(S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid
Definition date:2021-03-08
Last modified:2024-09-27
Release date:2021-08-04
Identifier:2-[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]prop-2-enoic acid
UED
UED
Name:N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:C21 H31 N3 O5
SMILES:C(OC(=O)NC(C(NC(CO)CC1C(NCC1)=O)=O)CC(C)C)c2ccccc2
InChi:InChI=1S/C21H31N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
Synonyms:GC373 bound form, GC376 bound form
Definition date:2020-05-11
Last modified:2024-09-27
Release date:2020-05-20
Identifier:N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
SSH
SSH
Name:3-DEOXY-D-ARABINO-HEXONIC ACID
Formula:C6 H12 O6
SMILES:O=C(O)C(O)CC(O)C(O)CO
InChi:InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1
Synonyms:D-2-KETO-3-DEOXYGLUCONATE
Definition date:2004-07-17
Last modified:2024-09-27
Identifier:3-deoxy-D-arabino-hexonic acid
YDB
YDB
Name:1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
Formula:C9 H12 B N7 O5 S2
SMILES:O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)B(O)O
InChi:InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1
Definition date:2023-01-25
Last modified:2024-09-27
Release date:2023-07-05
Identifier:1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
J02
J02
Name:2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid
Formula:C14 H17 N5 O6 S
SMILES:CC(C)(C(=O)NCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1)[S](O)(=O)=O
InChi:InChI=1S/C14H17N5O6S/c1-14(2,26(23,24)25)13(20)15-7-11-9-18(17-16-11)8-10-3-5-12(6-4-10)19(21)22/h3-6,9H,7-8H2,1-2H3,(H,15,20)(H,23,24,25)
Definition date:2019-01-08
Last modified:2024-09-27
Release date:2020-04-08
Identifier:2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid
U0R
U0R
Name:5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Formula:C13 H8 Br2 Cl N O2
SMILES:O=Cc1ncc(Br)cc1OCc1cc(Br)ccc1Cl
InChi:InChI=1S/C13H8Br2ClNO2/c14-9-1-2-11(16)8(3-9)7-19-13-4-10(15)5-17-12(13)6-18/h1-6H,7H2
Definition date:2022-08-01
Last modified:2024-09-27
Release date:2023-07-05
Identifier:5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
XFF
XFF
Name:(2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:C24 H37 N3 O8 S2
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H37N3O8S2/c1-15(2)12-18(27-23(31)35-14-24(3,4)36-17-8-6-5-7-9-17)21(29)26-19(22(30)37(32,33)34)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,18-,19-,22-/m0/s1
Definition date:2022-11-14
Last modified:2024-09-27
Release date:2022-11-23
Identifier:(1S,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
N36
N36
Name:3-ethoxy-4-hydroxybenzaldehyde
Formula:C9 H10 O3
SMILES:CCOc1cc(ccc1O)C=O
InChi:InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
Synonyms:Ethyl vanillin
Definition date:2022-03-23
Last modified:2024-09-27
Release date:2022-12-14
Identifier:3-ethoxy-4-hydroxybenzaldehyde
US8
US8
Name:2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide
Formula:C16 H16 N2 O2 S
SMILES:CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3
InChi:InChI=1S/C16H16N2O2S/c1-10(19)17-16-13(15(20)18-12-7-8-12)9-14(21-16)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,17,19)(H,18,20)
Synonyms:2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
Definition date:2021-03-10
Last modified:2024-09-27
Release date:2021-06-16
Identifier:2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
J05
J05
Name:1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid
Formula:C14 H17 Br N4 O4 S
SMILES:CC(C)(C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1)[S](O)(=O)=O
InChi:InChI=1S/C14H17BrN4O4S/c1-14(2,24(21,22)23)13(20)16-7-12-9-19(18-17-12)8-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,21,22,23)
Definition date:2019-01-08
Last modified:2024-09-27
Release date:2020-03-25
Identifier:1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid
US9
US9
Name:(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
Formula:C15 H19 F3 N2 O4 S
SMILES:O=S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChi:InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1
Definition date:2022-08-24
Last modified:2024-09-27
Release date:2023-05-10
Identifier:(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
W3F
W3F
Name:(3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide
Formula:C30 H27 F N4 O5
SMILES:O=C(Nc1c(C)c(/C=C2/c3cc(ccc3NC2=O)C(=O)NC(C)c2ccc(F)cc2)[NH]c1C)C(O)c1ccco1
InChi:InChI=1S/C30H27FN4O5/c1-15-24(32-17(3)26(15)35-30(39)27(36)25-5-4-12-40-25)14-22-21-13-19(8-11-23(21)34-29(22)38)28(37)33-16(2)18-6-9-20(31)10-7-18/h4-14,16,27,32,36H,1-3H3,(H,33,37)(H,34,38)(H,35,39)/b22-14-/t16-,27+/m1/s1
Definition date:2023-09-22
Last modified:2024-09-27
Release date:2023-12-13
Identifier:(3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide
UEG
UEG
Name:4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
Formula:C8 H11 N O3
SMILES:Oc1c(c(cnc1C)CO)CO
InChi:InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
Definition date:2013-09-12
Last modified:2024-09-27
Release date:2014-03-19
Identifier:4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
OBJ
OBJ
Name:2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide
Formula:C10 H11 Cl2 N O2 S
SMILES:C(CNC(=O)COc1cc(c(cc1)Cl)Cl)S
InChi:InChI=1S/C10H11Cl2NO2S/c11-8-2-1-7(5-9(8)12)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14)
Definition date:2019-06-20
Last modified:2024-09-27
Release date:2024-01-17
Identifier:2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide
USA
USA
Name:(E)-1-(1H-imidazol-2-yl)methanimine
Formula:C4 H5 N3
SMILES:n1ccnc1/C=N
InChi:InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+
Definition date:2020-05-28
Last modified:2024-09-27
Release date:2020-06-10
Identifier:(E)-1-(1H-imidazol-2-yl)methanimine
N38
N38
Name:3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide
Formula:C26 H41 N3 O7 S
SMILES:COc3ccc(OCCCS(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O)cc3
InChi:InChI=1S/C26H41N3O7S/c1-35-22-8-10-23(11-9-22)36-14-5-15-37(33,34)29-24(16-19-6-3-2-4-7-19)26(32)28-21(18-30)17-20-12-13-27-25(20)31/h8-11,19-21,24,29-30H,2-7,12-18H2,1H3,(H,27,31)(H,28,32)/t20-,21-,24-/m0/s1
Synonyms:3-cyclohexyl-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alan inamide (bound form)
Definition date:2016-09-12
Last modified:2024-09-27
Release date:2016-11-23
Identifier:3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-alaninamide
LGY
LGY
Name:(E)-N~6~-(4-oxobutylidene)-L-lysine
Formula:C10 H18 N2 O3
SMILES:O=C(O)C(N)CCCC/N=C/CCC=O
InChi:InChI=1S/C10H18N2O3/c11-9(10(14)15)5-1-2-6-12-7-3-4-8-13/h7-9H,1-6,11H2,(H,14,15)/b12-7+/t9-/m0/s1
Definition date:2010-07-16
Last modified:2024-09-27
Identifier:(E)-N~6~-(4-oxobutylidene)-L-lysine
YDL
YDL
Name:N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
Formula:C21 H32 F3 N5 O5
SMILES:FC(F)(F)C1CC(C(=O)NC(C=N)CC2CCNC2=O)N(C1)C(=O)C(NC(=O)OC)C(C)(C)C
InChi:InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1
Synonyms:Ibuzatrelvir, bound form
Definition date:2023-12-01
Last modified:2024-09-27
Release date:2024-05-15
Identifier:N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
SSN
SSN
Name:4-oxobutanoic acid
Formula:C4 H6 O3
SMILES:O=CCCC(=O)O
InChi:InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
Synonyms:Succinic semialdehyde
Definition date:2011-01-31
Last modified:2024-09-27
Identifier:4-oxobutanoic acid
RZ4
RZ4
Name:O-tert-butyl-L-serine
Formula:C7 H15 N O3
SMILES:O=C(O)C(N)COC(C)(C)C
InChi:InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
Definition date:2011-09-23
Last modified:2024-09-27
Identifier:O-tert-butyl-L-serine
YDM
YDM
Name:1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one
Formula:C15 H17 N O
SMILES:CCC(=O)c1ccc2cc(ccc2c1)N(C)C
InChi:InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3
Synonyms:acrylodan, bound form
Definition date:2023-01-26
Last modified:2024-09-27
Release date:2023-08-30
Identifier:1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one
BR1
BR1
Name:(1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol
Formula:C22 H25 Br N2 O2
SMILES:BrCc1ccc(nc1)c2oc(nc2)C(O)CCCCCCc3ccccc3
InChi:InChI=1S/C22H25BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16,20,26H,1-2,4,7-8,11,14H2/t20-/m0/s1
Synonyms:1-(5-(5-(bromomethyl)pyridin-2-yl)-7-phenylheptan-1-one, bound form
Definition date:2013-02-14
Last modified:2024-09-27
Release date:2013-05-01
Identifier:(1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol
USD
USD
Name:(E)-1-(pyrimidin-2-yl)methanimine
Formula:C5 H5 N3
SMILES:n1cccnc1/C=N
InChi:InChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+
Definition date:2020-05-28
Last modified:2024-09-27
Release date:2020-06-10
Identifier:(E)-1-(pyrimidin-2-yl)methanimine
LH2
LH2
Name:4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide
Formula:C16 H18 B N3 O2
SMILES:NC(=N)c1ccc(NC[CH]2Cc3ccccc3B(O)O2)cc1
InChi:InChI=1S/C16H18BN3O2/c18-16(19)11-5-7-13(8-6-11)20-10-14-9-12-3-1-2-4-15(12)17(21)22-14/h1-8,14,20-21H,9-10H2,(H3,18,19)/t14-/m0/s1
Definition date:2019-08-15
Last modified:2024-09-27
Release date:2019-09-25
Identifier:4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide
U0Y
U0Y
Name:1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one
Formula:C14 H18 N2 O2
SMILES:N2(CCN(C(c1ccc(cc1)C)=O)CC2)C(C)=O
InChi:InChI=1S/C14H18N2O2/c1-11-3-5-13(6-4-11)14(18)16-9-7-15(8-10-16)12(2)17/h3-6H,7-10H2,1-2H3
Definition date:2020-04-08
Last modified:2024-09-27
Release date:2020-04-15
Identifier:1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one

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數據於2024-10-16公開中

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