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VO6
VO6
Name:[(2~{R},4~{S})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
Formula:C12 H15 As N6 O S2
SMILES:Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](CO)S3)n1
InChi:InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)/t9-,13+/m0/s1
Definition date:2023-03-20
Last modified:2024-09-27
Release date:2024-10-02
Identifier:[(2~{R},4~{S})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
UT8
UT8
Name:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Formula:C16 H15 N O5 S
SMILES:COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3
Definition date:2021-03-17
Last modified:2024-09-27
Release date:2021-06-09
Identifier:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
STH
STH
Name:2-AMINO-4H-1,3-BENZOXATHIIN-4-OL
Formula:C8 H9 N O2 S
SMILES:O2c1ccccc1C(O)SC2N
InChi:InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1
Definition date:2004-11-03
Last modified:2024-09-27
Identifier:(2S,4R)-2-amino-4H-1,3-benzoxathiin-4-ol
U1P
U1P
Name:6-[(E)-iminomethyl]uridine 5'-phosphate
Formula:C10 H14 N3 O9 P
SMILES:O=C1NC(=O)N(C(C=[N@H])=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C10H14N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1-2,5,7-9,11,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/b11-2+/t5-,7-,8-,9-/m1/s1
Definition date:2008-10-23
Last modified:2024-09-27
Identifier:6-[(E)-iminomethyl]uridine 5'-(dihydrogen phosphate)
VO7
VO7
Name:N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
Formula:C27 H31 N7 O2
SMILES:c1c(NC([C@H]=C)=O)c(cc(c1Nc4nc(c2c3c(nc2)cccc3)ccn4)OC)N(C)CCN(C)C
InChi:InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)
Synonyms:AZ5104
Definition date:2020-08-31
Last modified:2024-09-27
Release date:2021-09-08
Identifier:N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide
RZZ
RZZ
Name:1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid
Formula:C8 H7 B O4
SMILES:OB1OCc2ccc(cc12)C(O)=O
InChi:InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)
Synonyms:1-methyl-3H-2,1-benzoxaborole-6-carboxylic acid
Definition date:2020-11-04
Last modified:2024-09-27
Release date:2021-08-11
Identifier:1-oxidanyl-3~{H}-2,1-benzoxaborole-6-carboxylic acid
LHV
LHV
Name:(2S)-2-hydroxy-3-methylbutanoic acid
Formula:C5 H10 O3
SMILES:O=C(O)C(O)C(C)C
InChi:InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1
Definition date:2012-10-16
Last modified:2024-09-27
Release date:2016-04-20
Identifier:(2S)-2-hydroxy-3-methylbutanoic acid
XXN
XXN
Name:(3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:C8 H5 Cl2 N O2
SMILES:Clc1ccc(Cl)c2c1NC(=O)C2O
InChi:InChI=1S/C8H5Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2,7,12H,(H,11,13)/t7-/m0/s1
Definition date:2023-11-14
Last modified:2024-09-27
Release date:2024-02-14
Identifier:(3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one
U1R
U1R
Name:5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
Formula:C17 H12 Br N O2
SMILES:O=Cc1ncc(Br)cc1OCc1cc2ccccc2cc1
InChi:InChI=1S/C17H12BrNO2/c18-15-8-17(16(10-20)19-9-15)21-11-12-5-6-13-3-1-2-4-14(13)7-12/h1-10H,11H2
Definition date:2022-08-02
Last modified:2024-09-27
Release date:2023-06-28
Identifier:5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
ORT
ORT
Name:(4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide
Formula:C5 H11 N3 O3
SMILES:NNC(=O)CC[CH](N)C(O)=O
InChi:InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1
Definition date:2020-04-01
Last modified:2024-09-27
Release date:2020-07-01
Identifier:(2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid
VOD
VOD
Name:(4-VINYLPHENYL)METHANESULFONIC ACID
Formula:C9 H10 O3 S
SMILES:O=S(=O)(O)Cc1ccc(cc1)C=C
InChi:InChI=1S/C9H10O3S/c1-2-8-3-5-9(6-4-8)7-13(10,11)12/h2-6H,1,7H2,(H,10,11,12)
Definition date:2014-05-09
Last modified:2024-09-27
Release date:2015-10-07
Identifier:(4-ethenylphenyl)methanesulfonic acid
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
N4F
N4F
Name:1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one
Formula:C9 H12 N2 O S
SMILES:CCC(=O)N1CCc2ncsc2C1
InChi:InChI=1S/C9H12N2OS/c1-2-9(12)11-4-3-7-8(5-11)13-6-10-7/h6H,2-5H2,1H3
Definition date:2022-08-11
Last modified:2024-09-27
Release date:2022-09-28
Identifier:1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one
ORW
ORW
Name:1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea
Formula:C17 H27 N5 O2
SMILES:CC(C)C[CH](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C=N
InChi:InChI=1S/C17H27N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,12-13,15,18H,10-11H2,1-4H3,(H2,19,20,24)/b18-12-/t15-/m0/s1
Definition date:2020-04-01
Last modified:2024-09-27
Release date:2020-12-16
Identifier:1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea
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
S08
S08
Name:2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
Formula:C18 H17 B N2 O6
SMILES:NC(=O)[CH](NC(=O)c1ccc2[CH](CC(O)=O)OB(O)c2c1)c3ccccc3
InChi:InChI=1S/C18H17BN2O6/c20-17(24)16(10-4-2-1-3-5-10)21-18(25)11-6-7-12-13(8-11)19(26)27-14(12)9-15(22)23/h1-8,14,16,26H,9H2,(H2,20,24)(H,21,25)(H,22,23)/t14-,16+/m0/s1
Synonyms:2-[(3S)-6-[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid
Definition date:2020-11-04
Last modified:2024-09-27
Release date:2021-08-11
Identifier:2-[(3~{S})-6-[[(1~{R})-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid
ZZ7
ZZ7
Name:(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:C16 H21 N3 O5 S
SMILES:O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N
InChi:InChI=1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,11+,13-/m1/s1
Synonyms:AMPICILLIN (open form)
Definition date:2009-06-11
Last modified:2024-09-27
Identifier:(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
YF5
YF5
Name:Agmatinamic acid
Formula:C10 H22 N4 O5
SMILES:N[CH](CCCNC(N)=N)[CH](O)C[CH](O)[CH](O)C(O)=O
InChi:InChI=1S/C10H22N4O5/c11-5(2-1-3-14-10(12)13)6(15)4-7(16)8(17)9(18)19/h5-8,15-17H,1-4,11H2,(H,18,19)(H4,12,13,14)/t5-,6+,7+,8-/m1/s1
Synonyms:(2R,3S,5S,6R)-6-azanyl-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanoic acid
Definition date:2023-12-04
Last modified:2024-09-27
Release date:2024-07-24
Identifier:(2~{R},3~{S},5~{S},6~{R})-6-azanyl-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanoic acid
UFP
UFP
Name:5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula: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
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:2'-deoxy-5-fluorouridine 5'-(dihydrogen phosphate)
X1Z
X1Z
Name:~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide
Formula:C29 H43 F2 N5 O6 S
SMILES:COC[CH](NC(=O)[CH](NC(=O)C1CCC(F)(F)CC1)C2CCCCC2)C(=O)NC3(CCC3)[CH](O)C(=O)NCc4sccn4
InChi:InChI=1S/C29H43F2N5O6S/c1-42-17-20(25(39)36-28(10-5-11-28)23(37)27(41)33-16-21-32-14-15-43-21)34-26(40)22(18-6-3-2-4-7-18)35-24(38)19-8-12-29(30,31)13-9-19/h14-15,18-20,22-23,37H,2-13,16-17H2,1H3,(H,33,41)(H,34,40)(H,35,38)(H,36,39)/t20-,22-,23-/m1/s1
Definition date:2023-10-19
Last modified:2024-09-27
Release date:2024-08-28
Identifier:~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide
UTL
UTL
Name:(1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:C24 H36 F N3 O8 S2
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Sc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H36FN3O8S2/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1
Definition date:2022-08-25
Last modified:2024-09-27
Release date:2022-09-07
Identifier:(1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
XXY
XXY
Name:2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate
Formula:C12 H16 N5 O4
SMILES:[O-]c1c(nc(n1CC(=O)O)C(N)C(O)C)Cc2cncn2
InChi:InChI=1S/C12H17N5O4/c1-6(18)10(13)11-16-8(2-7-3-14-5-15-7)12(21)17(11)4-9(19)20/h3,5-6,10,18,21H,2,4,13H2,1H3,(H,14,15)(H,19,20)/p-1/t6-,10+/m1/s1
Synonyms:CHROMOPHORE THR-HIS-GLY
Definition date:2006-02-10
Last modified:2024-09-27
Identifier:2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate
OCR
OCR
Name:(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
Formula:C20 H30 O3
SMILES:O=C(C=CC=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC
InChi:InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+
Synonyms:15-oxo-eicosatetraenoic acid
Definition date:2008-03-17
Last modified:2024-09-27
Identifier:(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
ALK
ALK
Name:methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid
Formula:C3 H9 O4 P
SMILES:CO[P](O)(=O)[CH](C)O
InChi:InChI=1S/C3H9O4P/c1-3(4)8(5,6)7-2/h3-4H,1-2H3,(H,5,6)/t3-/m1/s1
Definition date:2007-12-14
Last modified:2024-09-27
Identifier:methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid
ZZC
ZZC
Name:[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [[(2R,3R)-2,3-DIHYDROXY-4-OXO-PENTOXY]-OXIDO-PHOSPHORYL] PHOSPHATE
Formula:C15 H21 N5 O13 P2
SMILES:CC(=O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C15H23N5O13P2/c1-6(21)10(23)7(22)2-30-34(26,27)33-35(28,29)31-3-8-11(24)12(25)15(32-8)20-5-19-9-13(16)17-4-18-14(9)20/h4-5,7-8,10-12,15,22-25H,2-3H2,1H3,(H,26,27)(H,28,29)(H2,16,17,18)/p-2/t7-,8-,10+,11-,12-,15-/m1/s1
Definition date:2009-07-23
Last modified:2024-09-27
Identifier:[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate

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