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VNW
VNW
Name:8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
Formula:C11 H10 N2 O2 Se
SMILES:C[Se]c1cc(nc2c(N)cccc12)C(O)=O
InChi:InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15)
Definition date:2023-09-14
Last modified:2024-09-27
Release date:2023-10-11
Identifier:8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
MAA
MAA
Name:N-methyl-L-alanine
Formula:C4 H9 N O2
SMILES:O=C(O)C(NC)C
InChi:InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:N-methyl-L-alanine
T6W
T6W
Name:2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:C12 H16 Cl N2 O4 S
SMILES:CC(C)(Oc1ccc(cc1Cl)[N+](O)=O)C(=O)NCCS
InChi:InChI=1S/C12H15ClN2O4S/c1-12(2,11(16)14-5-6-20)19-10-4-3-8(15(17)18)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H2-,14,16,17,18,20)/p+1
Definition date:2020-12-15
Last modified:2024-09-27
Release date:2021-07-07
Identifier:[3-chloranyl-4-[2-methyl-1-oxidanylidene-1-(2-sulfanylethylamino)propan-2-yl]oxy-phenyl]-oxidanyl-oxidanylidene-azanium
NH4
NH4
Name:AMMONIUM ION
Formula:H4 N
SMILES:[NH4+]
InChi:InChI=1S/H3N/h1H3/p+1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:ammonium
BD1
BD1
Name:3A,4,7,7A-TETRAHYDRO-BENZO [1,3] DIOXOL-2-ONE
Formula:C7 H10 O3
SMILES:O1C2CC=CCC2OC1O
InChi:InChI=1S/C7H10O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-2,5-8H,3-4H2/t5-,6+,7+
Definition date:2003-03-14
Last modified:2024-09-27
Identifier:(2r,3aR,7aS)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-ol
SDJ
SDJ
Name:(2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
Formula:C25 H35 N5 O2
SMILES:O=C(N3C(CNC(C=O)Cc1ncnc1)CC2CCCCC2C3)CCNc4ccccc4
InChi:InChI=1S/C25H35N5O2/c31-17-23(13-22-14-26-18-29-22)28-15-24-12-19-6-4-5-7-20(19)16-30(24)25(32)10-11-27-21-8-2-1-3-9-21/h1-3,8-9,14,17-20,23-24,27-28H,4-7,10-13,15-16H2,(H,26,29)/t19-,20-,23+,24+/m1/s1
Definition date:2015-07-03
Last modified:2024-09-27
Release date:2016-06-22
Identifier:(2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
MNO
MNO
Name:(3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE
Formula:C26 H32 N4 O7 S
SMILES:O=C(NC(C=O)CC(=O)NS(=O)(=O)C)C3N(C(=O)C(NC(=O)c2cc1ccccc1cc2)C(C)C)CCC3
InChi:InChI=1S/C26H32N4O7S/c1-16(2)23(28-24(33)19-11-10-17-7-4-5-8-18(17)13-19)26(35)30-12-6-9-21(30)25(34)27-20(15-31)14-22(32)29-38(3,36)37/h4-5,7-8,10-11,13,15-16,20-21,23H,6,9,12,14H2,1-3H3,(H,27,34)(H,28,33)(H,29,32)/t20-,21-,23-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:N-(naphthalen-2-ylcarbonyl)-L-valyl-N-{(1S)-1-formyl-3-[(methylsulfonyl)amino]-3-oxopropyl}-L-prolinamide
SY2
SY2
Name:N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine
Formula:C24 H41 N5 O6
SMILES:O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCCC1)C(C)C)C(C)C)C(C)C
InChi:InChI=1S/C24H41N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h10-11,13-17,19-20H,7-9,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/t16-,17+,19+,20+/m1/s1
Synonyms:Syringolin B
Definition date:2009-03-30
Last modified:2024-09-27
Identifier:N-{[(1S)-2-methyl-1-{[(3E,5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine
N2X
N2X
Name:(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:C17 H16 Br N O3
SMILES:CCOc1ccccc1CN1c2ccc(Br)cc2C(O)C1=O
InChi:InChI=1S/C17H16BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9,16,20H,2,10H2,1H3/t16-/m0/s1
Definition date:2023-08-16
Last modified:2024-09-27
Release date:2023-11-08
Identifier:(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
T6Y
T6Y
Name:1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:C11 H15 Cl N2 O S
SMILES:N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Cl
InChi:InChI=1S/C11H15ClN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
SDK
SDK
Name:1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE
Formula:C31 H42 N4 O7
SMILES:O=C(OCc1ccccc1)NC(C(=O)NCC(=O)CNC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C
InChi:InChI=1S/C31H42N4O7/c1-21(2)15-26(34-30(39)41-19-23-11-7-5-8-12-23)28(37)32-17-25(36)18-33-29(38)27(16-22(3)4)35-31(40)42-20-24-13-9-6-10-14-24/h5-14,21-22,26-27H,15-20H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40)/t26-,27-/m0/s1
Synonyms:SYMMETRIC DIACYLAMINOETHYL KETONE
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:benzyl [(1S,9S)-1,9-bis(2-methylpropyl)-2,5,8,11-tetraoxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate (non-preferred name)
URV
URV
Name:[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
Formula:C6 H14 N2 O2
SMILES:CC(C)[CH](N)CNC(O)=O
InChi:InChI=1S/C6H14N2O2/c1-4(2)5(7)3-8-6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m1/s1
Definition date:2019-10-12
Last modified:2024-09-27
Release date:2021-02-17
Identifier:[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
R74
R74
Name:N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide
Formula:C18 H19 N3 O4 S
SMILES:O=C(C(CS)NC(Cc2ccc1OCOc1c2)=O)NCc3ccncc3
InChi:InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(H,20,23)(H,21,22)/t14-/m0/s1
Definition date:2020-02-04
Last modified:2024-09-27
Release date:2020-08-05
Identifier:N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide
BD3
BD3
Name:Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide
Formula:C23 H28 N8 O3
SMILES:O=C(NCC=[N@H])C(NC(=O)c1cc(nn1C)C(C)(C)C)Cc3cc(c2nnc(o2)C=[N@H])ccc3
InChi:InChI=1S/C23H28N8O3/c1-23(2,3)18-12-17(31(4)30-18)21(33)27-16(20(32)26-9-8-24)11-14-6-5-7-15(10-14)22-29-28-19(13-25)34-22/h5-8,10,12-13,16,24-25H,9,11H2,1-4H3,(H,26,32)(H,27,33)/b24-8+,25-13-/t16-/m0/s1
Definition date:2009-06-19
Last modified:2024-09-27
Identifier:Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide
AKP
AKP
Name:N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDE
Formula:C41 H60 N7 O13 P
SMILES:O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)(O)C(=O)NC(C(=O)O)Cc1ccc(OP(=O)(O)O)cc1)CC=C)CC2CCCCC2)C(C)CC)CC(C)C)c3nccnc3
InChi:InChI=1S/C41H60N7O13P/c1-6-11-33(41(56,57)40(55)46-31(39(53)54)22-27-14-16-28(17-15-27)61-62(58,59)60)47-35(49)30(21-26-12-9-8-10-13-26)45-38(52)34(25(5)7-2)48-36(50)29(20-24(3)4)44-37(51)32-23-42-18-19-43-32/h6,14-19,23-26,29-31,33-34,56-57H,1,7-13,20-22H2,2-5H3,(H,44,51)(H,45,52)(H,46,55)(H,47,49)(H,48,50)(H,53,54)(H2,58,59,60)/t25-,29-,30-,31-,33-,34-/m0/s1
Definition date:2004-08-30
Last modified:2024-09-27
Identifier:N-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide
PLF
PLF
Name:2-[5-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
Formula:C9 H14 N4 O2
SMILES:O=C(O)C(n1nnc(c1)C2NCCC2)C
InChi:InChI=1S/C9H14N4O2/c1-6(9(14)15)13-5-8(11-12-13)7-3-2-4-10-7/h5-7,10H,2-4H2,1H3,(H,14,15)/t6-,7-/m0/s1
Definition date:2011-12-08
Last modified:2024-09-27
Identifier:(2S)-2-{4-[(2S)-pyrrolidin-2-yl]-1H-1,2,3-triazol-1-yl}propanoic acid
OBF
OBF
Name:(2S)-2-amino-4,4-difluorobutanoic acid
Formula:C4 H7 F2 N O2
SMILES:FC(F)CC(N)C(=O)O
InChi:InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1
Definition date:2008-03-14
Last modified:2024-09-27
Identifier:(2S)-2-amino-4,4-difluorobutanoic acid
RZ4
RZ4
Name:O-tert-butyl-L-serine
Formula:C7 H15 N O3
SMILES:O=C(O)C(N)COC(C)(C)C
InChi:InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
Definition date:2011-09-23
Last modified:2024-09-27
Identifier:O-tert-butyl-L-serine
PLG
PLG
Name:N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]
Formula:C10 H15 N2 O7 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1CNCC(=O)O)C
InChi:InChI=1S/C10H15N2O7P/c1-6-10(15)8(3-11-4-9(13)14)7(2-12-6)5-19-20(16,17)18/h2,11,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)
Synonyms:N-PYRIDOXYL-GLYCINE-5-MONOPHOSPHATE
Definition date:1999-12-01
Last modified:2024-09-27
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)glycine
MAF
MAF
Name:2-deoxy-2-fluoro-alpha-D-mannopyranose
Formula:C6 H11 F O5
SMILES:FC1C(O)C(O)C(OC1O)CO
InChi:InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1
Synonyms:2-DEOXY-2-FLUORO-ALPHA-D-MANNOSE
Definition date:2002-02-28
Last modified:2024-09-27
Identifier:2-deoxy-2-fluoro-alpha-D-mannopyranose
T71
T71
Name:1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:C14 H20 N2 O3 S
SMILES:N2(CCN(S(c1c(ccc(c1)C)C)(=O)=O)CC2)C(C)=O
InChi:InChI=1S/C14H20N2O3S/c1-11-4-5-12(2)14(10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
AKR
AKR
Name:ACRYLIC ACID
Formula:C3 H4 O2
SMILES:O=C(O)C=C
InChi:InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
Definition date:2000-11-28
Last modified:2024-09-27
Identifier:prop-2-enoic acid
SDO
SDO
Name:N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
Formula:C19 H35 N2 O8 P S
SMILES:O=C(NCCSCCC(=O)CCCC(=O)C)CCNC(=O)C(O)C(C)(C)COP(O)O
InChi:InChI=1S/C19H35N2O8PS/c1-14(22)5-4-6-15(23)8-11-31-12-10-20-16(24)7-9-21-18(26)17(25)19(2,3)13-29-30(27)28/h17,25,27-28H,4-13H2,1-3H3,(H,20,24)(H,21,26)/t17-/m1/s1
Definition date:2014-10-16
Last modified:2024-09-27
Release date:2015-10-21
Identifier:N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
NHA
NHA
Name:C-DEHYDROXY-C-AMINO-ASPARAGINE
Formula:C4 H9 N3 O2
SMILES:NC(CC(N)=O)C(N)=O
InChi:InChI=1S/C4H9N3O2/c5-2(4(7)9)1-3(6)8/h2H,1,5H2,(H2,6,8)(H2,7,9)
Definition date:1999-07-08
Last modified:2024-09-27
Release date:2023-01-18
Identifier:(2R)-2-aminobutanediamide
SY8
SY8
Name:5-azanylpentan-2-one
Formula:C5 H11 N O
SMILES:CC(=O)CCCN
InChi:InChI=1S/C5H11NO/c1-5(7)3-2-4-6/h2-4,6H2,1H3
Definition date:2020-12-04
Last modified:2024-09-27
Release date:2021-02-10
Identifier:5-azanylpentan-2-one

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數據於2024-11-13公開中

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