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XVG
XVG
表記:1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid
組成式:C27 H27 Cl N8 O12 S
SMILES:CC(C(O)=O)(C)ON=C(c1nc(N)sc1Cl)C(NC(C=O)CN2NC(=C(C2)C(NCCN4C(=O)c3cc(O)c(cc3C4=O)O)=O)C(O)=O)=O
InChi:InChI=1S/C27H27ClN8O12S/c1-27(2,25(46)47)48-34-18(17-19(28)49-26(29)32-17)21(41)31-10(9-37)7-35-8-13(16(33-35)24(44)45)20(40)30-3-4-36-22(42)11-5-14(38)15(39)6-12(11)23(36)43/h5-6,9-10,33,38-39H,3-4,7-8H2,1-2H3,(H2,29,32)(H,30,40)(H,31,41)(H,44,45)(H,46,47)/b34-18-/t10-/m0/s1
定義日:2021-01-15
最終更新日:2024-09-27
公開日:2021-04-28
識別子（ID）:1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid
UFP
UFP
表記:5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
組成式:C9 H12 F N2 O8 P
SMILES:FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-5-fluorouridine 5'-(dihydrogen phosphate)
U0Y
U0Y
表記:1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one
組成式: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
定義日:2020-04-08
最終更新日:2024-09-27
公開日:2020-04-15
識別子（ID）:1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one
ZEK
ZEK
表記:3-acetamido-N-methylbenzamide
組成式:C10 H12 N2 O2
SMILES:O=C(C)Nc1cc(ccc1)C(=O)NC
InChi:InChI=1S/C10H12N2O2/c1-7(13)12-9-5-3-4-8(6-9)10(14)11-2/h3-6H,1-2H3,(H,11,14)(H,12,13)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:3-acetamido-N-methylbenzamide
JFS
JFS
表記:[4-(1H-benzimidazol-1-yl)phenyl]methanol
組成式:C14 H12 N2 O
SMILES:c1(ccc(CO)cc1)n3c2ccccc2nc3
InChi:InChI=1S/C14H12N2O/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16/h1-8,10,17H,9H2
定義日:2018-09-10
最終更新日:2024-09-27
公開日:2018-10-10
識別子（ID）:[4-(1H-benzimidazol-1-yl)phenyl]methanol
I70
I70
表記:(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C27 H46 N6 O6
SMILES:CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:InChI=1S/C27H46N6O6/c1-25(2,3)19(31-24(39)32-26(4,5)6)23(38)33-12-14-16(27(14,7)8)17(33)22(37)30-15(18(34)20(28)35)11-13-9-10-29-21(13)36/h13-19,34H,9-12H2,1-8H3,(H2,28,35)(H,29,36)(H,30,37)(H2,31,32,39)/t13-,14-,15-,16-,17-,18+,19+/m0/s1
定義日:2021-09-16
最終更新日:2024-09-27
公開日:2022-03-09
識別子（ID）:(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
UFT
UFT
表記:2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
組成式:C9 H12 F N2 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O
InChi:InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
定義日:2008-07-07
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
I71
I71
表記:(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C29 H50 N6 O6
SMILES:CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCC)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:InChI=1S/C29H50N6O6/c1-10-30-24(39)20(36)17(13-15-11-12-31-22(15)37)32-23(38)19-18-16(29(18,8)9)14-35(19)25(40)21(27(2,3)4)33-26(41)34-28(5,6)7/h15-21,36H,10-14H2,1-9H3,(H,30,39)(H,31,37)(H,32,38)(H2,33,34,41)/t15-,16-,17-,18-,19-,20+,21+/m0/s1
定義日:2021-09-16
最終更新日:2024-09-27
公開日:2022-07-27
識別子（ID）:(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
JUU
JUU
表記:[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid
組成式:C18 H22 N2 O3
SMILES:N[CH](Cc1ccccc1)[CH](O)CN(Cc2ccccc2)C(O)=O
InChi:InChI=1S/C18H22N2O3/c19-16(11-14-7-3-1-4-8-14)17(21)13-20(18(22)23)12-15-9-5-2-6-10-15/h1-10,16-17,21H,11-13,19H2,(H,22,23)/t16-,17+/m0/s1
定義日:2023-08-09
最終更新日:2024-09-27
公開日:2024-01-31
識別子（ID）:[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid
YS7
YS7
表記:(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside
組成式:C27 H49 N6 O12 P
SMILES:O=P(O)(O)OCc1cnc(C)c(O)c1CNCC1CCC(N)C(O1)OC1C(O)C(OC2OCC(C)(O)C(NC)C2O)C(N)CC1N
InChi:InChI=1S/C27H49N6O12P/c1-12-19(34)15(13(7-33-12)10-42-46(38,39)40)9-32-8-14-4-5-16(28)25(43-14)44-22-17(29)6-18(30)23(20(22)35)45-26-21(36)24(31-3)27(2,37)11-41-26/h7,14,16-18,20-26,31-32,34-37H,4-6,8-11,28-30H2,1-3H3,(H2,38,39,40)/t14-,16+,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m0/s1
定義日:2021-03-30
最終更新日:2024-09-27
公開日:2021-09-22
識別子（ID）:(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside
LGY
LGY
表記:(E)-N~6~-(4-oxobutylidene)-L-lysine
組成式: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
定義日:2010-07-16
最終更新日:2024-09-27
識別子（ID）:(E)-N~6~-(4-oxobutylidene)-L-lysine
UFY
UFY
表記:N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
組成式:C19 H25 B N4 O4
SMILES:c1cncc(n1)C(NC(Cc2ccccc2)C(=O)NC(CC(C)C)B(O)O)=O
InChi:InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1
定義日:2020-05-15
最終更新日:2024-09-27
公開日:2021-04-14
識別子（ID）:N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
AZP
AZP
表記:(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE
組成式:C32 H43 N5 O9
SMILES:O=C(OCC)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)Cc2ccccc2)CCC(=O)N
InChi:InChI=1S/C32H43N5O9/c1-4-45-31(43)26(38)19-28(40)37(16-15-27(33)39)36-30(42)25(18-22-11-7-5-8-12-22)34-29(41)24(17-21(2)3)35-32(44)46-20-23-13-9-6-10-14-23/h5-14,21,24-26,38H,4,15-20H2,1-3H3,(H2,33,39)(H,34,41)(H,35,44)(H,36,42)/t24-,25-,26-/m0/s1
定義日:2005-07-25
最終更新日:2024-09-27
識別子（ID）:ethyl (5S,8S,14S)-11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate (non-preferred name)
YCK
YCK
表記:N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide
組成式:C17 H35 N4 O8 P
SMILES:O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C(N)CC(C)C
InChi:InChI=1S/C17H35N4O8P/c1-11(2)9-12(18)15(24)21-8-7-19-13(22)5-6-20-16(25)14(23)17(3,4)10-29-30(26,27)28/h11-12,14,23H,5-10,18H2,1-4H3,(H,19,22)(H,20,25)(H,21,24)(H2,26,27,28)/t12-,14-/m0/s1
定義日:2023-01-24
最終更新日:2024-09-27
公開日:2023-06-21
識別子（ID）:N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide
W3F
W3F
表記:(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
組成式: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
定義日:2023-09-22
最終更新日:2024-09-27
公開日:2023-12-13
識別子（ID）:(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
JG2
JG2
表記:7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol
組成式:C20 H23 N3 O3
SMILES:n3c(c1nnc(o1)C(O)(O)CCCCCCc2ccccc2)cccc3
InChi:InChI=1S/C20H23N3O3/c24-20(25,14-8-2-1-4-10-16-11-5-3-6-12-16)19-23-22-18(26-19)17-13-7-9-15-21-17/h3,5-7,9,11-13,15,24-25H,1-2,4,8,10,14H2
別名:7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, bound form
定義日:2011-11-02
最終更新日:2024-09-27
識別子（ID）:7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol
L3F
L3F
表記:(phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate
組成式:C22 H28 N2 O4
SMILES:CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO)Cc2ccccc2
InChi:InChI=1S/C22H28N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,16,19-20,25H,13-15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
別名:benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
定義日:2022-06-14
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:(phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate
LH2
LH2
表記:4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide
組成式: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
定義日:2019-08-15
最終更新日:2024-09-27
公開日:2019-09-25
識別子（ID）:4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide
V8U
V8U
表記:3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
組成式:C33 H38 N4 O6
SMILES:CCC1=C(C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,34-35H,2,7,9-15H2,1,3-6H3,(H,38,39)(H,40,41)
定義日:2023-02-27
最終更新日:2024-09-27
公開日:2024-02-28
識別子（ID）:3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
YCL
YCL
表記:2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid
組成式:C15 H19 Cl N4 O4
SMILES:ClCC(=[N@H])NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O
InChi:InChI=1S/C15H19ClN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1
別名:o-Cl-amidine
定義日:2011-08-08
最終更新日:2024-09-27
識別子（ID）:2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid
AZR
AZR
表記:2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid
組成式:C13 H19 N5 O8 S2
SMILES:O=S(=O)(O)NC(C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c1nc(sc1)N
InChi:InChI=1S/C13H19N5O8S2/c1-6(18-28(23,24)25)7(4-19)15-10(20)9(8-5-27-12(14)16-8)17-26-13(2,3)11(21)22/h4-7,18H,1-3H3,(H2,14,16)(H,15,20)(H,21,22)(H,23,24,25)/b17-9-/t6-,7+/m0/s1
別名:AZTREONAM, open form
定義日:2000-09-12
最終更新日:2024-09-27
識別子（ID）:2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid
PZN
PZN
表記:3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION
組成式:C28 H44 N7 O6
SMILES:[O-]C(=O)CC(C(=O)CN(CCCCCC)C)NC(=O)C(N1C(=O)C(=NC(=C1)C(C)(C)C)NCc2nonc2C)CC
InChi:InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/p-1/t19-,21-/m0/s1
定義日:2003-11-19
最終更新日:2024-09-27
識別子（ID）:(3S)-3-({(2S)-2-[5-tert-butyl-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxopyrazin-1(2H)-yl]butanoyl}amino)-5-[hexyl(methyl)amino]-4-oxopentanoate
UG2
UG2
表記:[4-(2-phenylimidazol-1-yl)phenyl]methanol
組成式:C16 H14 N2 O
SMILES:OCc1ccc(cc1)n2ccnc2c3ccccc3
InChi:InChI=1S/C16H14N2O/c19-12-13-6-8-15(9-7-13)18-11-10-17-16(18)14-4-2-1-3-5-14/h1-11,19H,12H2
定義日:2021-02-16
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:[4-(2-phenylimidazol-1-yl)phenyl]methanol
JG3
JG3
表記:1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline
組成式:C15 H22 N2 O3
SMILES:O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC2
InChi:InChI=1S/C15H22N2O3/c16-12(9-11-5-2-1-3-6-11)14(18)10-17-8-4-7-13(17)15(19)20/h1-3,5-6,12-14,18H,4,7-10,16H2,(H,19,20)/t12-,13-,14-/m0/s1
定義日:2010-09-13
最終更新日:2024-09-27
識別子（ID）:1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline
U1A
U1A
表記:1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
組成式:C13 H18 N2 O3 S
SMILES:N1(CCN(CC1)S(c2ccc(cc2)C)(=O)=O)C(=O)C
InChi:InChI=1S/C13H18N2O3S/c1-11-3-5-13(6-4-11)19(17,18)15-9-7-14(8-10-15)12(2)16/h3-6H,7-10H2,1-2H3
定義日:2020-04-08
最終更新日:2024-09-27
公開日:2020-04-15
識別子（ID）:1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one

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