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NAL
NAL
表記:BETA-(2-NAPHTHYL)-ALANINE
組成式:C13 H13 N O2
SMILES:O=C(O)C(N)Cc2ccc1c(cccc1)c2
InChi:InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name)
NOP
NOP
表記:PYRIDOXAL-5'-PHOSPHATE-N-OXIDE
組成式:C8 H10 N O7 P
SMILES:[O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O
InChi:InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(4-formyl-5-hydroxy-6-methyl-1-oxidopyridin-3-yl)methyl dihydrogen phosphate
PR6
PR6
表記:3-chloro-3-oxopropanoic acid
組成式:C3 H3 Cl O3
SMILES:ClC(=O)CC(=O)O
InChi:InChI=1S/C3H3ClO3/c4-2(5)1-3(6)7/h1H2,(H,6,7)
定義日:2010-05-13
最終更新日:2024-09-27
識別子（ID）:3-chloro-3-oxopropanoic acid
PR7
PR7
表記:1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline
組成式:C8 H13 N O5
SMILES:O=C(O)C(O)CN1C(C(=O)O)CCC1
InChi:InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1
定義日:2010-06-07
最終更新日:2024-09-27
識別子（ID）:1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline
NOQ
NOQ
表記:(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
組成式:C17 H26 N2 O4 S
SMILES:O=S(=O)(c1ccc(OC)cc1)CC2C(C(=O)NCCN)CCCC2
InChi:InChI=1S/C17H26N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,10-12,18H2,1H3,(H,19,20)/t13-,16+/m0/s1
定義日:2005-12-22
最終更新日:2024-09-27
識別子（ID）:(1R,2R)-N-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide
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
QZ4
QZ4
表記:4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
組成式:C23 H37 F2 N3 O5
SMILES:C(CC1CCCCC1)(C(NC(CC2C(=O)NCC2)CO)=O)NC(=O)OC3CCC(CC3)(F)F
InChi:InChI=1S/C23H37F2N3O5/c24-23(25)9-6-18(7-10-23)33-22(32)28-19(12-15-4-2-1-3-5-15)21(31)27-17(14-29)13-16-8-11-26-20(16)30/h15-19,29H,1-14H2,(H,26,30)(H,27,31)(H,28,32)/t16-,17-,19-/m0/s1
定義日:2020-01-15
最終更新日:2024-09-27
公開日:2020-08-12
識別子（ID）:4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
MH8
MH8
表記:(2S)-2-amino-2-methylhept-6-enoic acid
組成式:C8 H15 N O2
SMILES:O=C(O)C(N)(CCC/C=C)C
InChi:InChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m0/s1
定義日:2015-02-04
最終更新日:2024-09-27
公開日:2015-09-09
識別子（ID）:(2S)-2-amino-2-methylhept-6-enoic acid
Y8V
Y8V
表記:(1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
組成式:C24 H39 N3 O8 S
SMILES:CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23-/m0/s1
定義日:2021-02-10
最終更新日:2024-09-27
公開日:2021-02-17
識別子（ID）:(1~{S},2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{S},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid
O3O
O3O
表記:2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide
組成式:C21 H30 Cl2 N4 O2
SMILES:ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3
InChi:InChI=1S/C21H30Cl2N4O2/c22-15-19(28)25-10-5-16-6-13-27(14-7-16)20(29)21(8-11-24-12-9-21)26-18-3-1-17(23)2-4-18/h1-4,16,24,26H,5-15H2,(H,25,28)
定義日:2022-08-26
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide
MH9
MH9
表記:(2E,4E)-DODECA-2,4-DIENOIC ACID
組成式:C12 H20 O2
SMILES:O=C(O)C=CC=CCCCCCCC
InChi:InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+
定義日:2011-03-28
最終更新日:2024-09-27
公開日:2012-08-24
識別子（ID）:(2E,4E)-dodeca-2,4-dienoic acid
NOR
NOR
表記:CYCLOHEXYL-NORSTATINE
組成式:C13 H25 N O3
SMILES:O=C(OC(C)C)C(O)C(N)CC1CCCCC1
InChi:InChI=1S/C13H25NO3/c1-9(2)17-13(16)12(15)11(14)8-10-6-4-3-5-7-10/h9-12,15H,3-8,14H2,1-2H3/t11-,12+/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:propan-2-yl (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoate
SZF
SZF
表記:1-methoxy-N-methyl-L-tryptophan
組成式:C13 H16 N2 O3
SMILES:O=C(O)C(NC)Cc1cn(OC)c2ccccc21
InChi:InChI=1S/C13H16N2O3/c1-14-11(13(16)17)7-9-8-15(18-2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m0/s1
定義日:2022-07-13
最終更新日:2024-09-27
公開日:2023-05-24
識別子（ID）:1-methoxy-N-methyl-L-tryptophan
PR9
PR9
表記:D-PROLINAMIDE
組成式:C5 H10 N2 O
SMILES:O=C(N)C1NCCC1
InChi:InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m1/s1
定義日:2009-09-02
最終更新日:2024-09-27
識別子（ID）:D-prolinamide
QZ7
QZ7
表記:N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C20 H33 F2 N3 O5
SMILES:C1(F)(CCC(CC1)OC(=O)NC(CC(C)C)C(NC(CC2C(=O)NCC2)CO)=O)F
InChi:InChI=1S/C20H33F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h12-16,26H,3-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13-,14-,16-/m0/s1
定義日:2020-01-15
最終更新日:2024-09-27
公開日:2020-08-12
識別子（ID）:N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Y8Y
Y8Y
表記:(1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
組成式:C24 H41 N3 O8 S
SMILES:CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23+/m0/s1
定義日:2021-02-10
最終更新日:2024-09-27
公開日:2021-02-17
識別子（ID）:(2~{S})-2-[[(2~{S})-2-[[(1~{R},5~{S})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid
Z
Z
表記:1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE
組成式:C9 H13 N2 O7 P
SMILES:O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1
別名:2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE
定義日:2002-09-09
最終更新日:2024-09-27
識別子（ID）:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one
PRA
PRA
表記:3-PHENYLPROPYLAMINE
組成式:C9 H13 N
SMILES:C(CCc1ccccc1)N
InChi:InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-phenylpropan-1-amine
MHC
MHC
表記:3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE
組成式:C14 H16 N2 O S
SMILES:O=C(N3CCc2c1ccccc1nc2C3)CCS
InChi:InChI=1S/C14H16N2OS/c17-14(6-8-18)16-7-5-11-10-3-1-2-4-12(10)15-13(11)9-16/h1-4,15,18H,5-9H2
定義日:2002-12-06
最終更新日:2024-09-27
識別子（ID）:3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propane-1-thiol
NOU
NOU
表記:(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid
組成式:C9 H13 N3 O2
SMILES:O=C(O)C(N)CCNc1ccccn1
InChi:InChI=1S/C9H13N3O2/c10-7(9(13)14)4-6-12-8-3-1-2-5-11-8/h1-3,5,7H,4,6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
定義日:2022-04-07
最終更新日:2024-09-27
公開日:2023-08-30
識別子（ID）:(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid
SZI
SZI
表記:[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
組成式:C17 H14 B F6 N2 O3 S
SMILES:O[B](O)(O)CSc1nc2ccccc2n1Cc3ccc(cc3C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C17H14BF6N2O3S/c19-16(20,21)11-6-5-10(12(7-11)17(22,23)24)8-26-14-4-2-1-3-13(14)25-15(26)30-9-18(27,28)29/h1-7,27-29H,8-9H2
定義日:2022-12-20
最終更新日:2024-09-27
公開日:2024-07-10
識別子（ID）:[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-tris(oxidanyl)boron
QZA
QZA
表記:(2R,3S)-3-amino-1-chlorobutan-2-ol
組成式:C4 H10 Cl N O
SMILES:NC(C)C(CCl)O
InChi:InChI=1S/C4H10ClNO/c1-3(6)4(7)2-5/h3-4,7H,2,6H2,1H3/t3-,4-/m0/s1
別名:(3S)-3-amino-1-chlorobutan-2-one, bound form
定義日:2020-01-16
最終更新日:2024-09-27
公開日:2020-09-16
識別子（ID）:(2R,3S)-3-amino-1-chlorobutan-2-ol
YMA
YMA
表記:7,10,13-TRI(CARBOXYMETHYL)-5,15-DIOXO-4,7,10,13,16-PENTAAZA-1,19-DITHIANONADECANE
組成式:C18 H33 N5 O8 S2
SMILES:O=C(NCCS)CN(CCN(CC(=O)O)CCN(CC(=O)NCCS)CC(=O)O)CC(=O)O
InChi:InChI=1S/C18H33N5O8S2/c24-14(19-1-7-32)9-22(12-17(28)29)5-3-21(11-16(26)27)4-6-23(13-18(30)31)10-15(25)20-2-8-33/h32-33H,1-13H2,(H,19,24)(H,20,25)(H,26,27)(H,28,29)(H,30,31)
定義日:2004-10-14
最終更新日:2024-09-27
識別子（ID）:N,N-bis{2-[(carboxymethyl){2-oxo-2-[(2-sulfanylethyl)amino]ethyl}amino]ethyl}glycine
VSZ
VSZ
表記:Cystargolide A (bound)
組成式:C18 H32 N2 O6
SMILES:CC[CH](C)[CH](NC(=O)[CH](NC(=O)[CH](O)[CH](C=O)C(C)C)C(C)C)C(O)=O
InChi:InChI=1S/C18H32N2O6/c1-7-11(6)14(18(25)26)20-16(23)13(10(4)5)19-17(24)15(22)12(8-21)9(2)3/h8-15,22H,7H2,1-6H3,(H,19,24)(H,20,23)(H,25,26)/t11-,12-,13-,14-,15+/m0/s1
別名:(2S,3S)-2-[[(2S)-2-[[(2R,3S)-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid
定義日:2023-03-31
最終更新日:2024-09-27
公開日:2023-12-06
識別子（ID）:(2~{S},3~{S})-2-[[(2~{S})-2-[[(2~{R},3~{S})-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid
O3S
O3S
表記:N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide
組成式:C17 H24 N4 O
SMILES:CCC(=O)Nc1cc(ccc1)c2c(cnc2)CN(C)CCN
InChi:InChI=1S/C17H24N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h4-6,9-11,19H,3,7-8,12,18H2,1-2H3,(H,20,22)
定義日:2019-06-06
最終更新日:2024-09-27
公開日:2019-06-26
識別子（ID）:N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide

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