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G84
G84
Name:O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Formula:C43 H54 N4 O8
SMILES:O=C(OCC3c1ccccc1c2ccccc23)NC(C(=O)NC(C(=O)NC(CC4C(=O)NCC4)CCC(=O)OCC)Cc5ccccc5)C(OC(C)(C)C)C
InChi:InChI=1S/C43H54N4O8/c1-6-53-37(48)21-20-30(25-29-22-23-44-39(29)49)45-40(50)36(24-28-14-8-7-9-15-28)46-41(51)38(27(2)55-43(3,4)5)47-42(52)54-26-35-33-18-12-10-16-31(33)32-17-11-13-19-34(32)35/h7-19,27,29-30,35-36,38H,6,20-26H2,1-5H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t27-,29+,30-,36+,38+/m1/s1
Definition date:2011-07-25
Last modified:2024-09-27
Identifier:O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-[(1R)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-phenylalaninamide
G85
G85
Name:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Formula:C35 H48 N4 O8
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)Cc3ccccc3)COC(C)(C)C
InChi:InChI=1S/C35H48N4O8/c1-5-45-30(40)17-16-27(21-26-18-19-36-31(26)41)37-32(42)28(20-24-12-8-6-9-13-24)38-33(43)29(23-47-35(2,3)4)39-34(44)46-22-25-14-10-7-11-15-25/h6-15,26-29H,5,16-23H2,1-4H3,(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t26-,27+,28-,29-/m0/s1
Definition date:2011-07-25
Last modified:2024-09-27
Identifier:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-[(1R)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-phenylalaninamide
G86
G86
Name:N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Formula:C33 H52 N4 O8
SMILES:O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(CC1C(=O)NCC1)CCC(=O)OCC)Cc2ccccc2)C(OC(C)(C)C)C
InChi:InChI=1S/C33H52N4O8/c1-9-43-26(38)16-15-24(20-23-17-18-34-28(23)39)35-29(40)25(19-22-13-11-10-12-14-22)36-30(41)27(21(2)44-32(3,4)5)37-31(42)45-33(6,7)8/h10-14,21,23-25,27H,9,15-20H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t21-,23+,24-,25+,27+/m1/s1
Definition date:2011-07-25
Last modified:2024-09-27
Identifier:N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-[(1R)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-phenylalaninamide
G8C
G8C
Name:1,2-Dioctanoyl-SN-Glycero-3-Phosphoethanolamine
Formula:C21 H42 N O8 P
SMILES:CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
InChi:InChI=1S/C21H42NO8P/c1-3-5-7-9-11-13-20(23)27-17-19(18-29-31(25,26)28-16-15-22)30-21(24)14-12-10-8-6-4-2/h19H,3-18,22H2,1-2H3,(H,25,26)/t19-/m1/s1
Definition date:2020-08-05
Last modified:2024-09-27
Release date:2021-03-24
Identifier:[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octanoyloxy-propyl] octanoate
G8Q
G8Q
Name:(1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol
Formula:C16 H28 N2 O3 S
SMILES:CN([CH](O)OC(C)(C)C)[CH]([CH](O)NCCS)c1ccccc1
InChi:InChI=1S/C16H28N2O3S/c1-16(2,3)21-15(20)18(4)13(14(19)17-10-11-22)12-8-6-5-7-9-12/h5-9,13-15,17,19-20,22H,10-11H2,1-4H3/t13-,14+,15+/m0/s1
Definition date:2018-09-06
Last modified:2024-09-27
Release date:2019-02-27
Identifier:(1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol
G8T
G8T
Name:(1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol
Formula:C17 H21 N O S
SMILES:CC([CH](O)NCCS)(c1ccccc1)c2ccccc2
InChi:InChI=1S/C17H21NOS/c1-17(16(19)18-12-13-20,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18-20H,12-13H2,1H3/t16-/m0/s1
Definition date:2018-09-06
Last modified:2024-09-27
Release date:2019-02-27
Identifier:(1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol
G8X
G8X
Name:(2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid
Formula:C5 H9 N O3
SMILES:O[CH]1CCN[CH]1C(O)=O
InChi:InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
Definition date:2020-08-06
Last modified:2024-09-27
Release date:2021-06-16
Identifier:(2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid
G9B
G9B
Name:N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide
Formula:C29 H31 N9 O
SMILES:O=C(Nc1cccc(c1)n2c6ccccc6nc2c5nc(c3cn(nc3)C4CCN(C)CC4)cnc5N)CC
InChi:InChI=1S/C29H31N9O/c1-3-26(39)33-20-7-6-8-22(15-20)38-25-10-5-4-9-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-11-13-36(2)14-12-21/h4-10,15-18,21H,3,11-14H2,1-2H3,(H2,30,31)(H,33,39)
Definition date:2014-09-16
Last modified:2024-09-27
Release date:2016-01-13
Identifier:N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide
G9N
G9N
Name:(2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide
Formula:C23 H22 Cl2 N2 O3 S
SMILES:COc1ccc(cc1Cl)N([CH](C(=O)NCCc2ccccc2)c3sccc3)C(=O)CCl
InChi:InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)/t22-/m1/s1
Definition date:2018-09-07
Last modified:2024-09-27
Release date:2020-04-01
Identifier:(2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide
G9S
G9S
Name:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
Formula:C27 H53 N2 O8 P S
SMILES:C(NC(CCNC(C(C(C)(COP(O)(=O)O)C)O)=O)=O)CSC(CCCCCCCCCCCCCCC)=O
InChi:InChI=1S/C27H53N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(31)39-21-20-28-23(30)18-19-29-26(33)25(32)27(2,3)22-37-38(34,35)36/h25,32H,4-22H2,1-3H3,(H,28,30)(H,29,33)(H2,34,35,36)/t25-/m1/s1
Definition date:2018-05-16
Last modified:2024-09-27
Release date:2019-04-03
Identifier:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
GAF
GAF
Name:2-deoxy-2-fluoro-alpha-D-galactopyranose
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-GALACTOSE
Definition date:2004-02-11
Last modified:2024-09-27
Identifier:2-deoxy-2-fluoro-alpha-D-galactopyranose
GAL
GAL
Name:beta-D-galactopyranose
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:beta-D-galactose
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:beta-D-galactopyranose
GAQ
GAQ
Name:5-HYDROXYPENTANAL
Formula:C5 H10 O2
SMILES:O=CCCCCO
InChi:InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2
Definition date:2005-08-02
Last modified:2024-09-27
Identifier:5-hydroxypentanal
GAU
GAU
Name:(4S)-4-AMINO-5-HYDROXYPENTANOIC ACID
Formula:C5 H11 N O3
SMILES:O=C(O)CCC(N)CO
InChi:InChI=1S/C5H11NO3/c6-4(3-7)1-2-5(8)9/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1
Synonyms:L-GLUTAMOL
Definition date:2005-06-02
Last modified:2024-09-27
Identifier:(4S)-4-amino-5-hydroxypentanoic acid
GB
GB
Name:METHYLPHOSPHONIC ACID ESTER GROUP
Formula:C H5 O3 P
SMILES:O=P(O)(O)C
InChi:InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:methylphosphonic acid
GBG
GBG
Name:N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine
Formula:C8 H16 Cl N3 O2
SMILES:C(CC(N)C(O)=O)CCN/C(CCl)=N
InChi:InChI=1S/C8H16ClN3O2/c9-5-7(11)12-4-2-1-3-6(10)8(13)14/h6H,1-5,10H2,(H2,11,12)(H,13,14)/t6-/m0/s1
Definition date:2018-05-18
Last modified:2024-09-27
Release date:2018-07-25
Identifier:N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine
GBS
GBS
Name:4-carbamimidamidobenzoic acid
Formula:C8 H9 N3 O2
SMILES:NC(=N)Nc1ccc(cc1)C(=O)O
InChi:InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
Synonyms:Nafamostat, bound form
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:4-carbamimidamidobenzoic acid
GCG
GCG
Name:BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE
Formula:C27 H49 N9 O10 S2
SMILES:O=C(NCC(=O)NCCCNCCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CS)C(NC(=O)CCC(C(=O)O)N)CS
InChi:InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1
Synonyms:TRYPANOTHIONE
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2S,7R,26R,31S)-2,31-diamino-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid (non-preferred name)
GCP
GCP
Name:PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Formula:C11 H18 N5 O13 P3
SMILES:O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]guanosine
GCS
GCS
Name:2-amino-2-deoxy-beta-D-glucopyranose
Formula:C6 H13 N O5
SMILES:OC1C(O)C(OC(O)C1N)CO
InChi:InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
Synonyms:beta-D-glucosamine
Definition date:2000-06-20
Last modified:2024-09-27
Identifier:2-amino-2-deoxy-beta-D-glucopyranose
GD1
GD1
Name:2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:C7 H7 N5 O
SMILES:O=C1c2c(cnc2N=C(N)N1)C=[N@H]
InChi:InChI=1S/C7H7N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h1-2,8H,(H4,9,10,11,12,13)/b8-1-
Synonyms:7-cyano-7-deazaguanine, bound form
Definition date:2012-05-25
Last modified:2024-09-27
Identifier:2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
GD7
GD7
Name:(1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE
Formula:C7 H17 O2 P
SMILES:O=P(OC(C)C(C)(C)C)C
InChi:InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1
Definition date:2006-07-27
Last modified:2024-09-27
Identifier:(1R)-1,2,2-trimethylpropyl (R)-methylphosphinate
GD8
GD8
Name:(1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE
Formula:C7 H17 O2 P
SMILES:O=P(OC(C)C(C)(C)C)C
InChi:InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1
Definition date:2009-04-15
Last modified:2024-09-27
Identifier:(1R)-1,2,2-trimethylpropyl (S)-methylphosphinate
GDI
GDI
Name:(2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE
Formula:C22 H24 N4 O
SMILES:O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3NCCCC3
InChi:InChI=1S/C22H24N4O/c23-14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)13-20(15-24)26-22(27)21-3-1-2-12-25-21/h4-11,15,20-21,24-25H,1-3,12-13H2,(H,26,27)/b24-15+/t20-,21-/m0/s1
Definition date:2013-10-31
Last modified:2024-09-27
Release date:2014-03-19
Identifier:(2S)-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]piperidine-2-carboxamide
GDP
GDP
Name:GUANOSINE-5'-DIPHOSPHATE
Formula:C10 H15 N5 O11 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:guanosine 5'-(trihydrogen diphosphate)

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