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V2N
V2N
表記:4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
組成式:C16 H14 N2 O2
SMILES:COc1ccc2nc(C)n(c3ccc(C=O)cc3)c2c1
InChi:InChI=1S/C16H14N2O2/c1-11-17-15-8-7-14(20-2)9-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
定義日:2021-04-08
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
ZSN
ZSN
表記:1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
組成式:C3 H7 N3 O3
SMILES:O=C(N)CN(N)C(=O)O
InChi:InChI=1S/C3H7N3O3/c4-2(7)1-6(5)3(8)9/h1,5H2,(H2,4,7)(H,8,9)
別名:Aza-asparagine
定義日:2012-06-01
最終更新日:2024-09-27
公開日:2013-06-26
識別子（ID）:1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
XKN
XKN
表記:3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride
組成式:C30 H29 F N4 O4 S
SMILES:COc1ccccc1Cn1cnc2cc(ccc12)C(=O)N1CCN(Cc2cc(cc(C#C)c2)S(F)(=O)=O)CC1C
InChi:InChI=1S/C30H29FN4O4S/c1-4-22-13-23(15-26(14-22)40(31,37)38)18-33-11-12-35(21(2)17-33)30(36)24-9-10-28-27(16-24)32-20-34(28)19-25-7-5-6-8-29(25)39-3/h1,5-10,13-16,20-21H,11-12,17-19H2,2-3H3/t21-/m1/s1
定義日:2022-11-23
最終更新日:2024-09-27
公開日:2023-05-31
識別子（ID）:3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride
ZA5
ZA5
表記:[(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
組成式:C8 H9 B F2 N O4
SMILES:O[B-](O)(O)CNC(=O)c1c(F)cccc1F
InChi:InChI=1S/C8H9BF2NO4/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14,15)16/h1-3,14-16H,4H2,(H,12,13)/q-1
定義日:2010-12-15
最終更新日:2024-09-27
識別子（ID）:[(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron
YCV
YCV
表記:2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide
組成式:C19 H19 N3 O4
SMILES:COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23
InChi:InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)
定義日:2021-02-22
最終更新日:2024-09-27
公開日:2021-11-10
識別子（ID）:2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide
XZK
XZK
表記:N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide
組成式:C14 H10 Cl N3 O4
SMILES:O=C(Nc1ccc(cc1)C(N)=O)c1cc(ccc1Cl)[N+]([O-])=O
InChi:InChI=1S/C14H10ClN3O4/c15-12-6-5-10(18(21)22)7-11(12)14(20)17-9-3-1-8(2-4-9)13(16)19/h1-7H,(H2,16,19)(H,17,20)
定義日:2022-12-15
最終更新日:2024-09-27
公開日:2024-03-20
識別子（ID）:N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide
NEF
NEF
表記:Nitrocefin - open form
組成式:C21 H18 N4 O9 S2
SMILES:OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(O)=O
InChi:InChI=1S/C21H18N4O9S2/c26-16(9-14-2-1-7-35-14)22-18(21(29)30)19-23-17(20(27)28)12(10-36-19)4-3-11-5-6-13(24(31)32)8-15(11)25(33)34/h1-8,18-19,23H,9-10H2,(H,22,26)(H,27,28)(H,29,30)/b4-3+/t18-,19+/m0/s1
別名:(2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
定義日:2018-09-26
最終更新日:2024-09-27
公開日:2019-10-23
識別子（ID）:(2~{R})-5-[(~{E})-2-(2,4-dinitrophenyl)ethenyl]-2-[(1~{R})-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid
VI3
VI3
表記:(2~{R})-2-azanyl-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]propanoic acid
組成式:C3 H6 N O4 S
SMILES:N[CH](C[S-](=O)=O)C(O)=O
InChi:InChI=1S/C3H6NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1
定義日:2023-03-07
最終更新日:2024-09-27
公開日:2023-03-15
識別子（ID）:(2~{R})-2-azanyl-3-sulfinato-propanoic acid
NEH
NEH
表記:ETHANAMINE
組成式:C2 H7 N
SMILES:NCC
InChi:InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
定義日:2005-03-17
最終更新日:2024-09-27
識別子（ID）:ethanamine
XKQ
XKQ
表記:methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
組成式:C24 H40 F2 N4 O6
SMILES:CNC(=O)C(O)C(CCC(C)(F)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C
InChi:InChI=1S/C24H40F2N4O6/c1-23(2,3)18(29-22(35)36-6)21(34)30-12-13-8-7-9-14(13)16(30)19(32)28-15(10-11-24(4,25)26)17(31)20(33)27-5/h13-18,31H,7-12H2,1-6H3,(H,27,33)(H,28,32)(H,29,35)/t13-,14-,15-,16-,17+,18+/m0/s1
定義日:2023-11-03
最終更新日:2024-09-27
公開日:2024-03-06
識別子（ID）:methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name)
V2Q
V2Q
表記:4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
組成式:C12 H13 N O3
SMILES:COC1CN(C1)C(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3
定義日:2021-04-08
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
S9U
S9U
表記:[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
組成式:C25 H44 N3 O8 S
SMILES:CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:InChI=1S/C25H43N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h15-21,24,31H,3-14H2,1-2H3,(H4-,26,27,28,29,30,32,33,34,35)/p+1/t17-,18+,19-,20-,21-,24-/m0/s1
定義日:2022-06-29
最終更新日:2024-09-27
公開日:2022-07-06
識別子（ID）:[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{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
ZAB
ZAB
表記:(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID
組成式:C15 H15 N3 O2
SMILES:O=C(O)Cc2cccc(N=N/c1cccc(c1)CN)c2
InChi:InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17-
定義日:2006-06-01
最終更新日:2024-09-27
識別子（ID）:(3-{(Z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid
1MH
1MH
表記:3-pyridin-3-yl-L-alanine
組成式:C8 H10 N2 O2
SMILES:O=C(O)C(N)Cc1cccnc1
InChi:InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1
定義日:2013-03-28
最終更新日:2024-09-27
公開日:2013-06-12
識別子（ID）:3-pyridin-3-yl-L-alanine
S9W
S9W
表記:~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
組成式:C25 H30 Br N3 O3
SMILES:Brc1ccc(CN2CCN(CC2)Cc3cccc(NC(=O)C4(CCOCC4)C=O)c3)cc1
InChi:InChI=1S/C25H30BrN3O3/c26-22-6-4-20(5-7-22)17-28-10-12-29(13-11-28)18-21-2-1-3-23(16-21)27-24(31)25(19-30)8-14-32-15-9-25/h1-7,16,19H,8-15,17-18H2,(H,27,31)
定義日:2020-11-13
最終更新日:2024-09-27
公開日:2021-06-30
識別子（ID）:~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
V2T
V2T
表記:4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide
組成式:C12 H11 N3 O2
SMILES:Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1
InChi:InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17)
定義日:2021-04-08
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide
ZAE
ZAE
表記:N-methyl-D-phenylalanine
組成式:C10 H13 N O2
SMILES:O=C(O)C(NC)Cc1ccccc1
InChi:InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1
定義日:2009-02-06
最終更新日:2024-09-27
識別子（ID）:N-methyl-D-phenylalanine
LSA
LSA
表記:1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE
組成式:C7 H5 N O3 S
SMILES:O=C2c1ccccc1S(=O)(=O)N2
InChi:InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
別名:SACCHARIN
定義日:2007-06-05
最終更新日:2024-09-27
識別子（ID）:1,2-benzisothiazol-3(2H)-one 1,1-dioxide
XZP
XZP
表記:(1R,2R)-2-aminocyclopentane-1-carboxylic acid
組成式:C6 H11 N O2
SMILES:O=C(C1CCCC1N)O
InChi:InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m1/s1
定義日:2017-05-18
最終更新日:2024-09-27
公開日:2018-02-21
識別子（ID）:(1R,2R)-2-aminocyclopentane-1-carboxylic acid
S9X
S9X
表記:2-azanyl-2-butyl-hexanal
組成式:C10 H21 N O2
SMILES:CCCCC(N)(CCCC)C(O)=O
InChi:InChI=1S/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13)
定義日:2022-12-15
最終更新日:2024-09-27
公開日:2023-10-11
識別子（ID）:2-azanyl-2-butyl-hexanoic acid
VX
VX
表記:O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
組成式:C3 H9 O3 P
SMILES:O=P(O)(OCC)C
InChi:InChI=1S/C3H9O3P/c1-3-6-7(2,4)5/h3H2,1-2H3,(H,4,5)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:ethyl hydrogen (S)-methylphosphonate
NSN
NSN
表記:N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATE
組成式:C7 H11 N3 O4
SMILES:[O-]C(=O)CC(/[NH+]=C(/C(=O)N)C)C(=O)N
InChi:InChI=1S/C7H11N3O4/c1-3(6(8)13)10-4(7(9)14)2-5(11)12/h4H,2H2,1H3,(H2,8,13)(H2,9,14)(H,11,12)/b10-3+/t4-/m0/s1
定義日:2003-07-07
最終更新日:2024-09-27
識別子（ID）:(3S)-4-amino-3-{[(1E)-2-amino-1-methyl-2-oxoethylidene]ammonio}-4-oxobutanoate
WRP
WRP
表記:(betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
組成式:C16 H22 N2 O4
SMILES:O=C(O)C(N)C(O)c2c1ccccc1n(c2)C(C)(C)C(O)C
InChi:InChI=1S/C16H22N2O4/c1-9(19)16(2,3)18-8-11(14(20)13(17)15(21)22)10-6-4-5-7-12(10)18/h4-9,13-14,19-20H,17H2,1-3H3,(H,21,22)/t9-,13+,14-/m1/s1
定義日:2013-06-20
最終更新日:2024-09-27
公開日:2013-09-18
識別子（ID）:(betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
T3G
T3G
表記:1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
組成式:C12 H14 F2 N2 O3 S
SMILES:N2(CCN(S(c1c(cccc1F)F)(=O)=O)CC2)C(=O)C
InChi:InChI=1S/C12H14F2N2O3S/c1-9(17)15-5-7-16(8-6-15)20(18,19)12-10(13)3-2-4-11(12)14/h2-4H,5-8H2,1H3
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
S9Z
S9Z
表記:~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
組成式:C25 H30 Br N3 O3
SMILES:CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3
InChi:InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)
定義日:2020-11-13
最終更新日:2024-09-27
公開日:2021-06-30
識別子（ID）:~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide

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