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T7C
T7C
Name:3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid
Formula:C7 H14 N2 O3 S
SMILES:O=C(N)CNCCSCCC(=O)O
InChi:InChI=1S/C7H14N2O3S/c8-6(10)5-9-2-4-13-3-1-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12)
Definition date:2022-07-19
Last modified:2024-09-27
Release date:2023-05-24
Identifier:3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid
NWJ
NWJ
Name:2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:C18 H16 N6 O
SMILES:O=Cc1cccc(c1)c3c(C#N)c2c(nc(nc2n3)N)N4CCCC4
InChi:InChI=1S/C18H16N6O/c19-9-13-14-16(21-15(13)12-5-3-4-11(8-12)10-25)22-18(20)23-17(14)24-6-1-2-7-24/h3-5,8,10H,1-2,6-7H2,(H3,20,21,22,23)
Definition date:2014-01-15
Last modified:2024-09-27
Release date:2015-01-21
Identifier:2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
T7D
T7D
Name:N-(1-acetylpiperidin-4-yl)benzamide
Formula:C14 H18 N2 O2
SMILES:N(C1CCN(CC1)C(C)=O)C(c2ccccc2)=O
InChi:InChI=1S/C14H18N2O2/c1-11(17)16-9-7-13(8-10-16)15-14(18)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,18)
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:N-(1-acetylpiperidin-4-yl)benzamide
ORH
ORH
Name:3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
Formula:C19 H20 F3 N5 O2
SMILES:FC(F)(F)c1cccc(c1)N2N=C(C#N)C(=O)N(CCCN3CCCCC3)C2=O
InChi:InChI=1S/C19H20F3N5O2/c20-19(21,22)14-6-4-7-15(12-14)27-18(29)26(17(28)16(13-23)24-27)11-5-10-25-8-2-1-3-9-25/h4,6-7,12H,1-3,5,8-11H2
Definition date:2009-12-22
Last modified:2024-09-27
Identifier:3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile
KOR
KOR
Name:L-HOMOCYSTEINE-S-N-S-L-CYSTEINE
Formula:C7 H15 N3 O5 S2
SMILES:O=S(NSCCC(N)C(=O)O)CC(C(=O)O)N
InChi:InChI=1S/C7H15N3O5S2/c8-4(6(11)12)1-2-16-10-17(15)3-5(9)7(13)14/h4-5,10H,1-3,8-9H2,(H,11,12)(H,13,14)/t4-,5-,17+/m0/s1
Synonyms:N-THIOSULFOXIMIDE
Definition date:2006-03-17
Last modified:2024-09-27
Identifier:S-({(R)-[(2R)-2-amino-2-carboxyethyl]sulfinyl}amino)-L-homocysteine
QT4
QT4
Name:~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide
Formula:C14 H17 B F2 N3 O
SMILES:CC(=O)NCc1ccc2Cc3n(c(C)cc3C)[B](F)(F)n12
InChi:InChI=1S/C14H17BF2N3O/c1-9-6-10(2)19-14(9)7-12-4-5-13(8-18-11(3)21)20(12)15(19,16)17/h4-6H,7-8H2,1-3H3,(H,18,21)
Definition date:2019-12-17
Last modified:2024-09-27
Release date:2020-05-06
Identifier:~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide
MAN
MAN
Name:alpha-D-mannopyranose
Formula:C6 H12 O6
SMILES:OC1C(O)C(OC(O)C1O)CO
InChi:InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
Synonyms:alpha-D-mannose
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:alpha-D-mannopyranose
T7G
T7G
Name:1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
Formula:C14 H18 N2 O3
SMILES:N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O
InChi:InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19)
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
W0W
W0W
Name:(1R,2S,5S)-3-[bis(4-chlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:C29 H31 Cl2 N3 O6
SMILES:CC1(C)C2C(C(=O)NC(CC3CC=NC3=O)CO)N(CC21)C(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChi:InChI=1S/C29H31Cl2N3O6/c1-29(2)22-14-34(24(23(22)29)26(37)33-19(15-35)13-16-11-12-32-25(16)36)27(38)28(39-20-7-3-17(30)4-8-20)40-21-9-5-18(31)6-10-21/h3-10,12,16,19,22-24,28,35H,11,13-15H2,1-2H3,(H,33,37)/t16-,19-,22-,23-,24-/m0/s1
Definition date:2023-09-21
Last modified:2024-09-27
Release date:2024-09-25
Identifier:(1R,2S,5S)-3-[bis(4-chlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SE
SE
Name:SELENIUM ATOM
Formula:Se
SMILES:[Se]
InChi:InChI=1S/H2Se/h1H2
Definition date:2000-08-08
Last modified:2024-09-27
Identifier:hydrogen selenide
VME
VME
Name:METHYL L-VALINATE
Formula:C6 H13 N O2
SMILES:O=C(OC)C(N)C(C)C
InChi:InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1
Synonyms:O-METHYLVALINE
Definition date:2006-11-11
Last modified:2024-09-27
Identifier:methyl L-valinate
MAO
MAO
Name:5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE
Formula:C13 H21 N7 O4
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCON)C)N
InChi:InChI=1S/C13H21N7O4/c1-19(2-3-23-15)4-7-9(21)10(22)13(24-7)20-6-18-8-11(14)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4,15H2,1H3,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1
Definition date:2001-03-12
Last modified:2024-09-27
Identifier:5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxyadenosine
T9M
T9M
Name:N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide
Formula:C9 H16 N2 O3
SMILES:N(C(C)=O)C(C(=O)NCC=C)C(C)O
InChi:InChI=1S/C9H16N2O3/c1-4-5-10-9(14)8(6(2)12)11-7(3)13/h4,6,8,12H,1,5H2,2-3H3,(H,10,14)(H,11,13)/t6-,8+/m0/s1
Definition date:2020-03-18
Last modified:2024-09-27
Release date:2020-04-15
Identifier:N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide
TNQ
TNQ
Name:6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan
Formula:C13 H15 N3 O5
SMILES:NC(C(=O)O)Cc1cnc2c1ccc(c2O)NCC(=O)O
InChi:InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1
Definition date:2018-08-16
Last modified:2024-09-27
Release date:2019-01-16
Identifier:6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan
MP8
MP8
Name:(4R)-4-methyl-L-proline
Formula:C6 H11 N O2
SMILES:O=C(O)C1NCC(C)C1
InChi:InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1
Definition date:2009-08-18
Last modified:2024-09-27
Identifier:(4R)-4-methyl-L-proline
T7H
T7H
Name:3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid
Formula:C7 H13 N O4 S
SMILES:OC(=O)CNCCSCCC(=O)O
InChi:InChI=1S/C7H13NO4S/c9-6(10)1-3-13-4-2-8-5-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)
Definition date:2022-07-19
Last modified:2024-09-27
Release date:2023-05-24
Identifier:3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid
QT7
QT7
Name:2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide
Formula:C11 H20 Cl N O3 S
SMILES:N(CC(C)(C)C)(C1CCS(C1)(=O)=O)C(CCl)=O
InChi:InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3/t9-/m1/s1
Definition date:2019-12-18
Last modified:2024-09-27
Release date:2020-12-30
Identifier:2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide
OC0
OC0
Name:[(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron
Formula:C9 H13 B N7 O6 S2
SMILES:O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)[B-](O)(O)O
InChi:InChI=1S/C9H13BN7O6S2/c11-8-14-15-9(25-8)24-3-6(18)12-5(10(21,22)23)2-17-1-4(7(19)20)13-16-17/h1,5,21-23H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/q-1/t5-/m0/s1
Definition date:2022-04-27
Last modified:2024-09-27
Release date:2022-12-14
Identifier:[(1R)-1-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-(4-carboxy-1H-1,2,3-triazol-1-yl)ethyl](trihydroxido)borate(1-)
4MZ
4MZ
Name:4-METHYLIMIDAZOLE
Formula:C4 H6 N2
SMILES:n1c(cnc1)C
InChi:InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
Definition date:2000-01-20
Last modified:2024-09-27
Identifier:4-methyl-1H-imidazole
T9P
T9P
Name:N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide
Formula:C9 H15 N3 O3
SMILES:N(C(CC(N)=O)C(NCC=C)=O)C(C)=O
InChi:InChI=1S/C9H15N3O3/c1-3-4-11-9(15)7(5-8(10)14)12-6(2)13/h3,7H,1,4-5H2,2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1
Definition date:2020-03-18
Last modified:2024-09-27
Release date:2020-04-15
Identifier:N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide
ORQ
ORQ
Name:N~5~-ACETYL-L-ORNITHINE
Formula:C7 H14 N2 O3
SMILES:O=C(NCCCC(N)C(=O)O)C
InChi:InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
Definition date:2006-02-27
Last modified:2024-09-27
Identifier:N~5~-acetyl-L-ornithine
USH
USH
Name:2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide
Formula:C14 H19 Cl N2 O3
SMILES:CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl
InChi:InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
Definition date:2021-03-12
Last modified:2024-09-27
Release date:2021-06-16
Identifier:2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide
T7J
T7J
Name:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
Formula:C13 H15 N O3 S
SMILES:C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O
InChi:InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/m1/s1
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
MPA
MPA
Name:(1R)-MENTHYL HEXYL PHOSPHONATE GROUP
Formula:C16 H33 O3 P
SMILES:O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC
InChi:InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate
ORM
ORM
Name:2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide
Formula:C11 H14 Cl2 N2 O3 S
SMILES:C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)NC(C)C)=O)Cl
InChi:InChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16)
Definition date:2019-07-03
Last modified:2024-09-27
Release date:2019-07-24
Identifier:2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide

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