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LET
LET
表記:(Z)-N^6-{3-CARBOXY-1-[(4-CARBOXY-2-OXOBUTOXY)METHYL]PROPYLIDENE}-L-LYSINE
組成式:C16 H26 N2 O8
SMILES:O=C(COC/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CCC(=O)O
InChi:InChI=1S/C16H26N2O8/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-26-10-12(19)5-7-15(22)23/h13H,1-10,17H2,(H,20,21)(H,22,23)(H,24,25)/b18-11+/t13-/m0/s1
別名:2-AMINO-6-[3-CARBOXY-1-(4-CARBOXY-2-OXO-BUTOXYMETHYL)-PROPYLIDENEAMINO]-HEXANOIC ACID
定義日:2005-09-11
最終更新日:2024-09-27
識別子（ID）:(E)-N~6~-{3-carboxy-1-[(4-carboxy-2-oxobutoxy)methyl]propylidene}-L-lysine
PHV
PHV
表記:N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide
組成式:C33 H40 N3 O8 P
SMILES:O=C(NC(CCCOC)P(=O)(O)O)C4N(C(=O)C(NC(=O)OCc1ccccc1)C(c2ccccc2)c3ccccc3)CCC4
InChi:InChI=1S/C33H40N3O8P/c1-43-22-12-20-28(45(40,41)42)34-31(37)27-19-11-21-36(27)32(38)30(35-33(39)44-23-24-13-5-2-6-14-24)29(25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-10,13-18,27-30H,11-12,19-23H2,1H3,(H,34,37)(H,35,39)(H2,40,41,42)/t27-,28-,30+/m0/s1
定義日:2011-03-21
最終更新日:2024-09-27
識別子（ID）:N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide
QCI
QCI
表記:L-2-Aminoglutarimide
組成式:C5 H8 N2 O2
SMILES:N[CH]1CCC(=O)NC1=O
InChi:InChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)/t3-/m0/s1
別名:(3S)-3-azanylpiperidine-2,6-dione
定義日:2022-10-25
最終更新日:2024-09-27
公開日:2023-01-11
識別子（ID）:(3~{S})-3-azanylpiperidine-2,6-dione
P4E
P4E
表記:(2S,4E)-2-amino-5-phenylpent-4-enoic acid
組成式:C11 H13 N O2
SMILES:O=C(O)C(N)C/C=C/c1ccccc1
InChi:InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
定義日:2011-10-13
最終更新日:2024-09-27
識別子（ID）:(2S,4E)-2-amino-5-phenylpent-4-enoic acid
LEU
LEU
表記:LEUCINE
組成式:C6 H13 N O2
SMILES:O=C(O)C(N)CC(C)C
InChi:InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:L-leucine
RIP
RIP
表記:beta-D-ribopyranose
組成式: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
別名:beta-D-ribose
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:beta-D-ribopyranose
OOG
OOG
表記:2-OXOADIPIC ACID
組成式:C6 H8 O5
SMILES:O=C(C(=O)O)CCCC(=O)O
InChi:InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
定義日:2015-01-21
最終更新日:2024-09-27
公開日:2015-01-28
識別子（ID）:2-oxohexanedioic acid
QCL
QCL
表記:8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde
組成式:C16 H20 N2 O3
SMILES:CCC(CC)COc1cc(nc2c(N)cccc12)C(O)=O
InChi:InChI=1S/C16H20N2O3/c1-3-10(4-2)9-21-14-8-13(16(19)20)18-15-11(14)6-5-7-12(15)17/h5-8,10H,3-4,9,17H2,1-2H3,(H,19,20)
定義日:2016-06-01
最終更新日:2024-09-27
公開日:2017-06-21
識別子（ID）:8-azanyl-4-(2-ethylbutoxy)quinoline-2-carboxylic acid
SQI
SQI
表記:hexadecan-1-amine
組成式:C16 H35 N
SMILES:CCCCCCCCCCCCCCCCN
InChi:InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
定義日:2022-07-07
最終更新日:2024-09-27
公開日:2022-12-07
識別子（ID）:hexadecan-1-amine
A1IOV
A1IOV
表記:7-[(3~{R},4~{R},6~{S})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
組成式:C20 H32 N6 O5
SMILES:CC(C)C[CH](N)C(=O)N1C[CH](O)C[C](C)(O)[CH](C1)n2cnc3N(C)C(=O)N(C)C(=O)c23
InChi:InChI=1S/C20H32N6O5/c1-11(2)6-13(21)17(28)25-8-12(27)7-20(3,31)14(9-25)26-10-22-16-15(26)18(29)24(5)19(30)23(16)4/h10-14,27,31H,6-9,21H2,1-5H3/t12-,13-,14+,20+/m0/s1
定義日:2024-09-17
最終更新日:2024-09-27
公開日:2024-10-02
識別子（ID）:7-[(3~{R},4~{R},6~{S})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
QCN
QCN
表記:(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal
組成式:C13 H19 N O3
SMILES:CC(C)(C)c1cc(C[CH](N)C(O)=O)ccc1O
InChi:InChI=1S/C13H19NO3/c1-13(2,3)9-6-8(4-5-11(9)15)7-10(14)12(16)17/h4-6,10,15H,7,14H2,1-3H3,(H,16,17)/t10-/m0/s1
定義日:2020-06-05
最終更新日:2024-09-27
公開日:2021-06-30
識別子（ID）:(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanoic acid
PI
PI
表記:HYDROGENPHOSPHATE ION
組成式:H O4 P
SMILES:[O-]P([O-])(=O)O
InChi:InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:hydrogen phosphate
QQV
QQV
表記:(1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide
組成式:C19 H25 N3 O5 S
SMILES:O=C(N1CCOCC1)C3CC(S(=O)(=O)c2ccccc2)CC3C(=O)NCC=[N@H]
InChi:InChI=1S/C19H25N3O5S/c20-6-7-21-18(23)16-12-15(28(25,26)14-4-2-1-3-5-14)13-17(16)19(24)22-8-10-27-11-9-22/h1-6,15-17,20H,7-13H2,(H,21,23)/b20-6+/t15-,16-,17-/m1/s1
定義日:2013-06-11
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:(1R,2R,4R)-N-[(2E)-2-iminoethyl]-2-(morpholin-4-ylcarbonyl)-4-(phenylsulfonyl)cyclopentanecarboxamide
A1IOZ
A1IOZ
表記:7-[(3~{S},4~{S},6~{R})-1-[3-(aminomethyl)phenyl]carbonyl-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
組成式:C22 H28 N6 O5
SMILES:CN1C(=O)N(C)c2ncn([CH]3CN(C[CH](O)C[C]3(C)O)C(=O)c4cccc(CN)c4)c2C1=O
InChi:InChI=1S/C22H28N6O5/c1-22(33)8-15(29)10-27(19(30)14-6-4-5-13(7-14)9-23)11-16(22)28-12-24-18-17(28)20(31)26(3)21(32)25(18)2/h4-7,12,15-16,29,33H,8-11,23H2,1-3H3/t15-,16+,22+/m1/s1
定義日:2024-09-19
最終更新日:2024-09-27
公開日:2024-10-02
識別子（ID）:7-[(3~{S},4~{S},6~{R})-1-[3-(aminomethyl)phenyl]carbonyl-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
OOL
OOL
表記:(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine
組成式:C7 H9 N3 O2
SMILES:N=Cc1nc(OC)cc(OC)n1
InChi:InChI=1S/C7H9N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3-4,8H,1-2H3/b8-4+
定義日:2023-08-17
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine
8X8
8X8
表記:~{tert}-butyl ~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]carbamate
組成式:C20 H29 N3 O5
SMILES:CC(C)(C)OC(=O)N[CH](C[CH]1CCNC1=O)[CH](O)C(=O)NCc2ccccc2
InChi:InChI=1S/C20H29N3O5/c1-20(2,3)28-19(27)23-15(11-14-9-10-21-17(14)25)16(24)18(26)22-12-13-7-5-4-6-8-13/h4-8,14-16,24H,9-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16+/m0/s1
定義日:2017-03-21
最終更新日:2024-09-27
公開日:2018-05-16
識別子（ID）:~{tert}-butyl ~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]carbamate
QCS
QCS
表記:S-carbamoyl-L-cysteine
組成式:C4 H8 N2 O3 S
SMILES:O=C(SCC(C(=O)O)N)N
InChi:InChI=1S/C4H8N2O3S/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1
定義日:2013-10-21
最終更新日:2024-09-27
公開日:2013-12-18
識別子（ID）:S-carbamoyl-L-cysteine
QQZ
QQZ
表記:phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
組成式:C7 H10 B N6 O7 P S
SMILES:OB(CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2)O[P](O)(O)=O
InChi:InChI=1S/C7H10BN6O7PS/c15-8(21-22(16,17)18)4-10-23(19,20)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15H,4H2,(H2,16,17,18)(H,11,12,13,14)
定義日:2017-07-05
最終更新日:2024-09-27
公開日:2017-12-06
識別子（ID）:phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
LF7
LF7
表記:2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne
組成式:C17 H27 N3 O2
SMILES:O=C(N1C(CCC1)C=N)CNC24CC3CC(C2)CC(C3)(O)C4
InChi:InChI=1S/C17H27N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h9,12-14,18-19,22H,1-8,10-11H2/b18-9+/t12-,13+,14-,16+,17-/m0/s1
別名:Vildagliptin, bound form
定義日:2012-12-11
最終更新日:2024-09-27
公開日:2013-05-15
識別子（ID）:2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-one
SQW
SQW
表記:propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
組成式:C15 H17 N O3
SMILES:CC(C)OC(=O)CCC(=O)n1ccc2ccccc12
InChi:InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3
定義日:2020-11-30
最終更新日:2024-09-27
公開日:2021-08-04
識別子（ID）:propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
N1L
N1L
表記:2-amino-2-deoxy-beta-D-glucopyranuronic acid
組成式:C6 H11 N O6
SMILES:O=C(O)C1OC(O)C(N)C(O)C1O
InChi:InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1
別名:2-amino-2-deoxy-beta-D-glucuronic acid
定義日:2008-03-11
最終更新日:2024-09-27
識別子（ID）:2-amino-2-deoxy-beta-D-glucopyranuronic acid
PIA
PIA
表記:[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
組成式:C14 H15 N3 O4
SMILES:O=C1C(N=C(N1CC(=O)O)C(N)C)=Cc2ccc(O)cc2
InChi:InChI=1S/C14H15N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,19,20)/b11-6-/t8-/m0/s1
定義日:2001-06-22
最終更新日:2024-09-27
識別子（ID）:[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
OP0
OP0
表記:(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
組成式:C9 H18 N4 O7 S
SMILES:O=CN1C(C(=O)NOCCN)CCC(NOS(=O)(=O)O)C1
InChi:InChI=1S/C9H18N4O7S/c10-3-4-19-12-9(15)8-2-1-7(5-13(8)6-14)11-20-21(16,17)18/h6-8,11H,1-5,10H2,(H,12,15)(H,16,17,18)/t7-,8+/m1/s1
定義日:2014-12-09
最終更新日:2024-09-27
公開日:2015-07-01
識別子（ID）:(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
N1R
N1R
表記:2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide
組成式:C20 H28 Cl2 N2 O3
SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCCNC(=O)CCl)CC2
InChi:InChI=1S/C20H28Cl2N2O3/c1-20(2,27-17-7-5-16(22)6-8-17)19(26)24-12-9-15(10-13-24)4-3-11-23-18(25)14-21/h5-8,15H,3-4,9-14H2,1-2H3,(H,23,25)
定義日:2022-08-11
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide
TZW
TZW
表記:4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde
組成式:C12 H14 N2 O4
SMILES:OC1CCN(CC1)c2cc(C=O)ccc2[N](=O)=O
InChi:InChI=1S/C12H14N2O4/c15-8-9-1-2-11(14(17)18)12(7-9)13-5-3-10(16)4-6-13/h1-2,7-8,10,16H,3-6H2
定義日:2021-01-15
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde

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