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Y7S
Y7S
表記:(1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid
組成式:C15 H21 N2 O7 P
SMILES:Oc1c(CNC2=CC(CC2C)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:InChI=1S/C15H21N2O7P/c1-8-3-10(15(19)20)4-13(8)17-6-12-11(7-24-25(21,22)23)5-16-9(2)14(12)18/h4-5,8,10,17-18H,3,6-7H2,1-2H3,(H,19,20)(H2,21,22,23)/t8-,10+/m0/s1
定義日:2021-02-09
最終更新日:2024-09-27
公開日:2021-08-25
識別子（ID）:(1R,4S)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclopent-2-ene-1-carboxylic acid
WDB
WDB
表記:(~{E})-3-[2-[(3-chlorophenyl)methyl]-4-oxidanylidene-3~{H}-quinazolin-7-yl]prop-2-enoic acid
組成式:C18 H13 Cl N2 O3
SMILES:OC(=O)C=Cc1ccc2C(=O)NC(=Nc2c1)Cc3cccc(Cl)c3
InChi:InChI=1S/C18H13ClN2O3/c19-13-3-1-2-12(8-13)10-16-20-15-9-11(5-7-17(22)23)4-6-14(15)18(24)21-16/h1-9H,10H2,(H,22,23)(H,20,21,24)/b7-5+
定義日:2023-09-29
最終更新日:2024-09-27
公開日:2024-10-02
識別子（ID）:(~{E})-3-[2-[(3-chlorophenyl)methyl]-4-oxidanylidene-3~{H}-quinazolin-7-yl]prop-2-enoic acid
K2X
K2X
表記:(3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate
組成式:C24 H34 Cl N3 O5 S
SMILES:Clc1cccc(c1)COC(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)S
InChi:InChI=1S/C24H34ClN3O5S/c25-18-8-4-7-16(11-18)14-33-24(32)28-19(12-15-5-2-1-3-6-15)22(30)27-20(23(31)34)13-17-9-10-26-21(17)29/h4,7-8,11,15,17,19-20,23,31,34H,1-3,5-6,9-10,12-14H2,(H,26,29)(H,27,30)(H,28,32)/t17-,19-,20-,23-/m0/s1
定義日:2023-08-10
最終更新日:2024-09-27
公開日:2024-08-14
識別子（ID）:(3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate
T1V
T1V
表記:1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
組成式:C10 H14 N2 O3 S2
SMILES:N1(CCN(CC1)C(C)=O)S(c2cccs2)(=O)=O
InChi:InChI=1S/C10H14N2O3S2/c1-9(13)11-4-6-12(7-5-11)17(14,15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3
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-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
YOZ
YOZ
表記:(2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide
組成式:C12 H22 N4 O3
SMILES:OC1(N)CCC(C(=O)NC2CCNCC2)N(C=O)C1
InChi:InChI=1S/C12H22N4O3/c13-12(19)4-1-10(16(7-12)8-17)11(18)15-9-2-5-14-6-3-9/h8-10,14,19H,1-7,13H2,(H,15,18)/t10-,12+/m0/s1
別名:Relebactam, the acylated, desulfated, imine-hydrolysis intermediate
定義日:2023-02-15
最終更新日:2024-09-27
公開日:2023-08-09
識別子（ID）:(2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide
S8H
S8H
表記:(2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid
組成式:C13 H23 N3 O6 S
SMILES:CC(C)OC(=O)CNC(=O)[CH](CS)NC(=O)CC[CH](N)C(O)=O
InChi:InChI=1S/C13H23N3O6S/c1-7(2)22-11(18)5-15-12(19)9(6-23)16-10(17)4-3-8(14)13(20)21/h7-9,23H,3-6,14H2,1-2H3,(H,15,19)(H,16,17)(H,20,21)/t8-,9+/m0/s1
定義日:2020-11-11
最終更新日:2024-09-27
公開日:2020-12-02
識別子（ID）:(2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid
ZS8
ZS8
表記:(2S)-2-amino-2-methyldec-8-ynoic acid
組成式:C11 H19 N O2
SMILES:NC(C(=O)O)(C)CCCCCC#CC
InChi:InChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1
定義日:2016-04-06
最終更新日:2024-09-27
公開日:2016-10-19
識別子（ID）:(2S)-2-amino-2-methyldec-8-ynoic acid
WUK
WUK
表記:methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate
組成式:C27 H29 N3 O5
SMILES:O=C(OC)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c1cccc2ccccc21
InChi:InChI=1S/C27H29N3O5/c1-18(21-13-7-10-19-8-3-5-11-22(19)21)28-27(34)23-12-6-4-9-20(23)14-15-24(31)29-30-25(32)16-17-26(33)35-2/h3-13,18H,14-17H2,1-2H3,(H,28,34)(H,29,31)(H,30,32)/t18-/m1/s1
定義日:2022-10-19
最終更新日:2024-09-27
公開日:2023-04-05
識別子（ID）:methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate
ZS9
ZS9
表記:dehydrocostus lactone, bound form
組成式:C15 H20 O2
SMILES:C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C
InChi:InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1
定義日:2023-07-03
最終更新日:2024-09-27
公開日:2024-07-03
識別子（ID）:(3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one
K2Z
K2Z
表記:benzyl [(1S)-1-{[(1S,2S)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate
組成式:C27 H45 N5 O5
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(CC)C(O)C(=O)NCCCN2CCN(CC2)C)CC(C)C
InChi:InChI=1S/C27H45N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-24,33H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22-,23-,24-/m0/s1
定義日:2007-12-08
最終更新日:2024-09-27
識別子（ID）:benzyl [(1S)-1-{[(1S,2S)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate (non-preferred name)
T1X
T1X
表記:7-fluoro-N-[(2S)-1-({(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
組成式:C30 H33 F2 N5 O5 S
SMILES:COc1ccc(F)c2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)c1nc2c(F)cccc2s1
InChi:InChI=1S/C30H33F2N5O5S/c1-14(2)11-20(36-29(41)21-13-16-22(42-3)8-7-18(32)24(16)34-21)28(40)35-19(12-15-9-10-33-27(15)39)26(38)30-37-25-17(31)5-4-6-23(25)43-30/h4-8,13-15,19-20,26,34,38H,9-12H2,1-3H3,(H,33,39)(H,35,40)(H,36,41)/t15-,19-,20-,26-/m0/s1
定義日:2022-07-15
最終更新日:2024-09-27
公開日:2022-08-24
識別子（ID）:7-fluoro-N-[(2S)-1-({(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
XAY
XAY
表記:2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid
組成式:C25 H21 N3 O4
SMILES:OC(=O)c1ccccc1NC(=O)C(C#N)Cc2cc(ccc2)NC(c3ccc(cc3)C)=O
InChi:InChI=1S/C25H21N3O4/c1-16-9-11-18(12-10-16)23(29)27-20-6-4-5-17(14-20)13-19(15-26)24(30)28-22-8-3-2-7-21(22)25(31)32/h2-12,14,19H,13H2,1H3,(H,27,29)(H,28,30)(H,31,32)/t19-/m0/s1
定義日:2020-12-08
最終更新日:2024-09-27
公開日:2021-12-15
識別子（ID）:2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid
T1Y
T1Y
表記:1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
組成式:C12 H15 F N2 O3 S
SMILES:N2(CCN(S(c1cccc(c1)F)(=O)=O)CC2)C(=O)C
InChi:InChI=1S/C12H15FN2O3S/c1-10(16)14-5-7-15(8-6-14)19(17,18)12-4-2-3-11(13)9-12/h2-4,9H,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-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
UA9
UA9
表記:[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate
組成式:C40 H56 N4 O7
SMILES:COC1=CC(=O)N([CH]1Cc2ccccc2)C(=O)CC[CH](C)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)OC(=O)[CH](Cc3ccccc3)N(C)C
InChi:InChI=1S/C40H56N4O7/c1-26(2)21-31(42-39(48)35(22-27(3)4)51-40(49)33(43(6)7)24-30-17-13-10-14-18-30)38(47)41-28(5)19-20-36(45)44-32(34(50-8)25-37(44)46)23-29-15-11-9-12-16-29/h9-18,25-28,31-33,35H,19-24H2,1-8H3,(H,41,47)(H,42,48)/t28-,31-,32-,33-,35-/m0/s1
定義日:2023-01-31
最終更新日:2024-09-27
公開日:2024-02-21
識別子（ID）:[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate
XQQ
XQQ
表記:4-[(4S)-8-amino-3-{(2S)-1-[(2E)-but-2-enoyl]pyrrolidin-2-yl}imidazo[1,5-a]pyrazin-1-yl]-N-(pyridin-2-yl)benzamide
組成式:C26 H25 N7 O2
SMILES:O=C(C=CC)N1CCCC1c1nc(c2ccc(cc2)C(=O)Nc2ccccn2)c2n1ccnc2N
InChi:InChI=1S/C26H25N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h2-4,6,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/b6-2+/t19-/m0/s1
別名:4-{(4S)-8-amino-3-[(2S)-1-(but-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-(pyridin-2-yl)benzamide
定義日:2022-12-05
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:4-[(4S)-8-amino-3-{(2S)-1-[(2E)-but-2-enoyl]pyrrolidin-2-yl}imidazo[1,5-a]pyrazin-1-yl]-N-(pyridin-2-yl)benzamide
ZSC
ZSC
表記:5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
組成式:C10 H11 N O6 S
SMILES:O=S(=O)(N(c1cc(cc(c1)C(=O)O)C(=O)O)C)C
InChi:InChI=1S/C10H11NO6S/c1-11(18(2,16)17)8-4-6(9(12)13)3-7(5-8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
定義日:2011-12-08
最終更新日:2024-09-27
公開日:2012-11-16
識別子（ID）:5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
TVA
TVA
表記:N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline
組成式:C13 H22 N2 O3 S
SMILES:O=C(O)C(NCC(O)C(N)Cc1sccc1)CCC
InChi:InChI=1S/C13H22N2O3S/c1-2-4-11(13(17)18)15-8-12(16)10(14)7-9-5-3-6-19-9/h3,5-6,10-12,15-16H,2,4,7-8,14H2,1H3,(H,17,18)/t10-,11-,12+/m0/s1
定義日:2014-06-24
最終更新日:2024-09-27
公開日:2015-07-01
識別子（ID）:N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline
XQV
XQV
表記:N-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide
組成式:C21 H19 N5 O
SMILES:c1(cccc(NC(CC)=O)c1)Nc3nn4cccc(c2ccccc2)c4n3
InChi:InChI=1S/C21H19N5O/c1-2-19(27)22-16-10-6-11-17(14-16)23-21-24-20-18(12-7-13-26(20)25-21)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,27)(H,23,25)
定義日:2021-01-06
最終更新日:2024-09-27
公開日:2021-04-14
識別子（ID）:N-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide
TVB
TVB
表記:4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde
組成式:C17 H17 N O3 S
SMILES:C[CH]1CCc2ccccc2N1[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C17H17NO3S/c1-13-6-9-15-4-2-3-5-17(15)18(13)22(20,21)16-10-7-14(12-19)8-11-16/h2-5,7-8,10-13H,6,9H2,1H3/t13-/m1/s1
定義日:2021-01-13
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde
K35
K35
表記:~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide
組成式:C12 H23 N O6
SMILES:CCCCC(=O)N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C12H23NO6/c1-2-3-4-7(15)13-8-6(5-14)9(16)11(18)12(19)10(8)17/h6,8-12,14,16-19H,2-5H2,1H3,(H,13,15)/t6-,8+,9+,10-,11-,12-/m0/s1
定義日:2017-03-07
最終更新日:2024-09-27
公開日:2017-10-04
識別子（ID）:~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide
SO0
SO0
表記:(1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide
組成式:C23 H29 Cl2 N3 O5
SMILES:O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)COc1ccc(Cl)cc1Cl
InChi:InChI=1S/C23H29Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,13-14,16-17,21,29H,1-3,6-8,10-12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17-,21-/m0/s1
定義日:2023-08-28
最終更新日:2024-09-27
公開日:2024-08-28
識別子（ID）:(1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide
YPC
YPC
表記:S-[(2S)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-N-pentadecanoyl-D-cysteine
組成式:C50 H95 N O7 S
SMILES:O=C(OC(CSCC(NC(=O)CCCCCCCCCCCCCC)C(=O)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCC
InChi:InChI=1S/C50H95NO7S/c1-4-7-10-13-16-19-22-24-26-29-31-34-37-40-48(53)57-42-45(58-49(54)41-38-35-32-28-21-18-15-12-9-6-3)43-59-44-46(50(55)56)51-47(52)39-36-33-30-27-25-23-20-17-14-11-8-5-2/h45-46H,4-44H2,1-3H3,(H,51,52)(H,55,56)/t45-,46+/m0/s1
定義日:2021-04-09
最終更新日:2024-09-27
公開日:2021-08-11
識別子（ID）:S-[(2S)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-N-pentadecanoyl-D-cysteine
K36
K36
表記:(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C21 H31 N3 O8 S
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(CC2C(=O)NCC2)C(O)S(=O)(=O)O)CC(C)C
InChi:InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15-,16-,17-,20?/m0/s1
別名:GC376
定義日:2011-11-22
最終更新日:2024-09-27
公開日:2012-08-31
識別子（ID）:(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
ZSL
ZSL
表記:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)
組成式:C16 H23 N5 O13 P2 S
SMILES:Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3SCOC3C2O)C(O)C1O
InChi:InChI=1S/C16H23N5O13P2S/c17-13-8-14(19-3-18-13)21(4-20-8)15-11(24)9(22)6(32-15)1-30-35(25,26)34-36(27,28)31-2-7-10(23)12-16(33-7)37-5-29-12/h3-4,6-7,9-12,15-16,22-24H,1-2,5H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16-/m1/s1
定義日:2023-03-29
最終更新日:2024-09-27
公開日:2023-04-05
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)
TVE
TVE
表記:(2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid
組成式:C22 H27 N3 O7 S
SMILES:C[CH](O)[CH](C=O)C1=N[CH]([CH](SC2CNC(C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O
InChi:InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-16,18-19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14?,15-,16?,18-,19-/m1/s1
定義日:2021-01-13
最終更新日:2024-09-27
公開日:2021-07-21
識別子（ID）:(2~{S},3~{R},4~{R})-3-[(5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid

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件を2024-10-09に公開中

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