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T7G
T7G
表記:1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
組成式:C14 H18 N2 O3
SMILES:N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O
InChi:InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19)
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-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
NXC
NXC
表記:(2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+)
組成式:C23 H33 Cl N3 O5 P Pt
SMILES:CCO[P](=O)(CCCc1cc2CN(C)(C)|[Pt]3(Cl)|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O
InChi:InChI=1S/C23H33N3O5P.ClH.Pt/c1-6-30-32(29,31-23-11-9-22(10-12-23)26(27)28)13-7-8-19-14-20(17-24(2)3)16-21(15-19)18-25(4)5
別名:ethyl 4-nitrophenyl P-[3-(4-(chloroplatino)-1,3-bis > [(dimethylamino)methyl]-phenyl)propyl]phosphonate
定義日:2008-09-12
最終更新日:2024-09-27
T7H
T7H
表記:3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid
組成式:C7 H13 N O4 S
SMILES:OC(=O)CNCCSCCC(=O)O
InChi:InChI=1S/C7H13NO4S/c9-6(10)1-3-13-4-2-8-5-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)
定義日:2022-07-19
最終更新日:2024-09-27
公開日:2023-05-24
識別子（ID）:3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid
BDK
BDK
表記:2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE
組成式:C23 H30 F2 N6 O5 S
SMILES:O=C(NCCN1CCOCC1)C(F)(F)C(=O)C(NC(=O)CN2C(=NC=C(N)C2=O)c3sccc3)C(C)C
InChi:InChI=1S/C23H30F2N6O5S/c1-14(2)18(19(33)23(24,25)22(35)27-5-6-30-7-9-36-10-8-30)29-17(32)13-31-20(16-4-3-11-37-16)28-12-15(26)21(31)34/h3-4,11-12,14,18H,5-10,13,26H2,1-2H3,(H,27,35)(H,29,32)/t18-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(4S)-4-{[(5-amino-6-oxo-2-thiophen-2-ylpyrimidin-1(6H)-yl)acetyl]amino}-2,2-difluoro-5-methyl-N-(2-morpholin-4-ylethyl)-3-oxohexanamide
PLW
PLW
表記:(2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
組成式:C10 H18 N4 O2
SMILES:O=C(O)C(n1nncc1C(N)C(C)CC)C
InChi:InChI=1S/C10H18N4O2/c1-4-6(2)9(11)8-5-12-13-14(8)7(3)10(15)16/h5-7,9H,4,11H2,1-3H3,(H,15,16)/t6-,7-,9-/m0/s1
定義日:2011-12-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-{5-[(1S,2S)-1-amino-2-methylbutyl]-1H-1,2,3-triazol-1-yl}propanoic acid
P6S
P6S
表記:benzyl hydrogen carbonate
組成式:C8 H8 O3
SMILES:C(OC(=O)O)c1ccccc1
InChi:InChI=1S/C8H8O3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
定義日:2019-08-02
最終更新日:2024-09-27
公開日:2020-02-05
識別子（ID）:benzyl hydrogen carbonate
SYO
SYO
表記:[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate
組成式:C19 H37 N2 O8 P S
SMILES:O=C(NCCSCCC(=O)CCCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChi:InChI=1S/C19H37N2O8PS/c1-4-5-6-7-15(22)9-12-31-13-11-20-16(23)8-10-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,23)(H,21,25)(H2,26,27,28)/t17-/m1/s1
定義日:2009-10-15
最終更新日:2024-09-27
識別子（ID）:N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxooctyl)sulfanyl]ethyl}-beta-alaninamide
ORG
ORG
表記:4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
組成式:C14 H21 N7
SMILES:N#Cc1nc(NC2CCCCC2)nc(n1)N3CCNCC3
InChi:InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)
定義日:2009-12-22
最終更新日:2024-09-27
識別子（ID）:4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
ORH
ORH
表記:3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
組成式:C19 H20 F3 N5 O2
SMILES:FC(F)(F)c1cccc(c1)N2N=C(C#N)C(=O)N(CCCN3CCCCC3)C2=O
InChi:InChI=1S/C19H20F3N5O2/c20-19(21,22)14-6-4-7-15(12-14)27-18(29)26(17(28)16(13-23)24-27)11-5-10-25-8-2-1-3-9-25/h4,6-7,12H,1-3,5,8-11H2
定義日:2009-12-22
最終更新日:2024-09-27
識別子（ID）:3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile
T7J
T7J
表記:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
組成式:C13 H15 N O3 S
SMILES:C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O
InChi:InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/m1/s1
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
USH
USH
表記:2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide
組成式:C14 H19 Cl N2 O3
SMILES:CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl
InChi:InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
定義日:2021-03-12
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide
SYP
SYP
表記:N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
組成式:C11 H19 N5 O S
SMILES:O=C(NCCNc1ncnc(c1)NCCS)CC
InChi:InChI=1S/C11H19N5OS/c1-2-11(17)14-4-3-12-9-7-10(13-5-6-18)16-8-15-9/h7-8,18H,2-6H2,1H3,(H,14,17)(H2,12,13,15,16)
定義日:2010-12-13
最終更新日:2024-09-27
識別子（ID）:N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
PLZ
PLZ
表記:4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
組成式:C12 H19 N2 O7 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1CNCCCC(=O)O)C
InChi:InChI=1S/C12H19N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5,13,17H,2-4,6-7H2,1H3,(H,15,16)(H2,18,19,20)
定義日:2007-01-18
最終更新日:2024-09-27
識別子（ID）:4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid
OC0
OC0
表記:[(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron
組成式:C9 H13 B N7 O6 S2
SMILES:O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)[B-](O)(O)O
InChi:InChI=1S/C9H13BN7O6S2/c11-8-14-15-9(25-8)24-3-6(18)12-5(10(21,22)23)2-17-1-4(7(19)20)13-16-17/h1,5,21-23H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/q-1/t5-/m0/s1
定義日:2022-04-27
最終更新日:2024-09-27
公開日:2022-12-14
識別子（ID）:[(1R)-1-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-(4-carboxy-1H-1,2,3-triazol-1-yl)ethyl](trihydroxido)borate(1-)
VOL
VOL
表記:L-VALINOL
組成式:C5 H13 N O
SMILES:OCC(N)C(C)C
InChi:InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
定義日:2002-06-26
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-3-methylbutan-1-ol
MAY
MAY
表記:METHYL ARACHIDONYL FLUOROPHOSPHONATE
組成式:C21 H36 F O2 P
SMILES:FP(=O)(OC)CCCCC=C/CC=C/CC=C/CC=C/CCCCC
InChi:InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1
別名:MAFP
定義日:2002-10-01
最終更新日:2024-09-27
識別子（ID）:methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate
R7Q
R7Q
表記:2-methyl-1-(4-methylphenyl)propan-1-one
組成式:C11 H14 O
SMILES:CC(C)C(=O)c1ccc(C)cc1
InChi:InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
別名:2,4'-Dimethylpropiophenone
定義日:2020-09-17
最終更新日:2024-09-27
公開日:2020-12-02
識別子（ID）:2-methyl-1-(4-methylphenyl)propan-1-one
BDP
BDP
表記:beta-D-glucopyranuronic acid
組成式:C6 H10 O7
SMILES:O=C(O)C1OC(O)C(O)C(O)C1O
InChi:InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
別名:beta-D-glucuronic acid
定義日:2001-11-26
最終更新日:2024-09-27
識別子（ID）:beta-D-glucopyranuronic acid
ALA
ALA
表記:ALANINE
組成式:C3 H7 N O2
SMILES:O=C(O)C(N)C
InChi:InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:L-alanine
NXI
NXI
表記:~{N}-(1~{H}-indazol-5-ylmethyl)propanamide
組成式:C11 H13 N3 O
SMILES:CCC(=O)NCc1ccc2[nH]ncc2c1
InChi:InChI=1S/C11H13N3O/c1-2-11(15)12-6-8-3-4-10-9(5-8)7-13-14-10/h3-5,7H,2,6H2,1H3,(H,12,15)(H,13,14)
別名:N-(1H-indazol-5-ylmethyl)prop-2-enamide (precursor)
定義日:2022-08-24
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-(1~{H}-indazol-5-ylmethyl)propanamide
SYS
SYS
表記:3-[(2-amino-2-oxoethyl)selanyl]-L-alanine
組成式:C5 H10 N2 O3 Se
SMILES:O=C(O)C(N)C[Se]CC(=O)N
InChi:InChI=1S/C5H10N2O3Se/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
別名:L-(Se-carboxamidomethyl)selenocysteine
定義日:2008-09-17
最終更新日:2024-09-27
識別子（ID）:3-[(2-amino-2-oxoethyl)selanyl]-L-alanine
N3O
N3O
表記:~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide
組成式:C10 H11 N3 O2
SMILES:CCC(=O)Nc1cnc2onc(C)c2c1
InChi:InChI=1S/C10H11N3O2/c1-3-9(14)12-7-4-8-6(2)13-15-10(8)11-5-7/h4-5H,3H2,1-2H3,(H,12,14)
定義日:2022-08-11
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide
MAZ
MAZ
表記:FORMIC ACID 3-AMINO-BENZYL ESTER
組成式:C8 H9 N O3
SMILES:O=COCc1cc(N)ccc1
InChi:InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11)
別名:META-AMINO BENZYLOCARBONYL
定義日:2001-09-21
最終更新日:2024-09-27
識別子（ID）:3-aminobenzyl formate
SE7
SE7
表記:2-AMINO-3-SELENINO-PROPIONIC ACID
組成式:C3 H7 N O4 Se
SMILES:O=C(O)C(N)C[Se](=O)O
InChi:InChI=1S/C3H7NO4Se/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1
定義日:2013-12-19
最終更新日:2024-09-27
公開日:2013-12-25
識別子（ID）:3-selenino-L-alanine
ALC
ALC
表記:2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID
組成式:C9 H17 N O2
SMILES:O=C(O)C(N)CC1CCCCC1
InChi:InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
定義日:2000-06-30
最終更新日:2024-09-27
識別子（ID）:3-cyclohexyl-L-alanine

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