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SUG
SUG
Name:N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE
Formula:C10 H18 N4 O5
SMILES:O=C(NC(C(=O)O)CCCNC(=[N@H])N)CCC(=O)O
InChi:InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1
Synonyms:N~2~-SUCCINYLARGININE
Definition date:2005-02-04
Last modified:2020-06-17
Identifier:N~2~-(3-carboxypropanoyl)-L-arginine
SFX
SFX
Name:(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Formula:C17 H18 F3 N O
SMILES:FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2
InChi:InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1
Synonyms:Fluoxetine
Definition date:2009-04-03
Last modified:2020-06-17
Identifier:(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PMG
PMG
Name:N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-2-METHYL-L-GLUTAMIC ACID
Formula:C14 H21 N2 O9 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CCC(=O)O
InChi:InChI=1S/C14H21N2O9P/c1-8-12(19)10(9(5-15-8)7-25-26(22,23)24)6-16-14(2,13(20)21)4-3-11(17)18/h5,16,19H,3-4,6-7H2,1-2H3,(H,17,18)(H,20,21)(H2,22,23,24)/t14-/m0/s1
Synonyms:N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE
Definition date:2005-04-25
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-L-glutamic acid
ZYU
ZYU
Name:6-MORPHOLIN-4-YL-9H-PURINE
Formula:C9 H11 N5 O
SMILES:n2cnc1c(ncn1)c2N3CCOCC3
InChi:InChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
Synonyms:4-(9H-PURIN-6-YL)MORPHOLINE
Definition date:2009-07-03
Last modified:2020-06-17
Identifier:6-morpholin-4-yl-9H-purine
TO1
TO1
Name:4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:C12 H13 N5 O4
SMILES:N#Cc2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
InChi:InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
Synonyms:TOYOCAMYCIN
Definition date:2011-04-22
Last modified:2020-06-17
Identifier:4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
S12
S12
Name:O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine
Formula:C24 H46 N O9 P
SMILES:O=C(O)C(N)COP(=O)(OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC)O
InChi:InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/t21-,22-/m0/s1
Synonyms:1-oleoyl-2-hydroxy-sn-glycero-3-phospho-L-serine
Definition date:2012-03-29
Last modified:2020-06-17
Release date:2012-09-07
Identifier:O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine
ZYV
ZYV
Name:1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE
Formula:C10 H14 N6 O
SMILES:n1cnc3ncnc3c1N2CC(OCC2)CN
InChi:InChI=1S/C10H14N6O/c11-3-7-4-16(1-2-17-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15)/t7-/m0/s1
Synonyms:(4-(9H-PURIN-6-YL)MORPHOLIN-2-YL)METHANAMINE
Definition date:2009-07-03
Last modified:2020-06-17
Identifier:1-[(2S)-4-(7H-purin-6-yl)morpholin-2-yl]methanamine
SUO
SUO
Name:N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE
Formula:C9 H16 N2 O5
SMILES:O=C(NC(C(=O)O)CCCN)CCC(=O)O
InChi:InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
Synonyms:N~2~-SUCCINYLORNITHINE
Definition date:2005-02-04
Last modified:2020-06-17
Identifier:N~2~-(3-carboxypropanoyl)-L-ornithine
U2P
U2P
Name:PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER
Formula:C9 H13 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C2OP(=O)(O)O)CO
InChi:InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Synonyms:URIDINE-2'-PHOSPHATE
Definition date:2003-02-26
Last modified:2020-06-17
Identifier:2'-uridylic acid
ZZ1
ZZ1
Name:4-METHYL-2H-CHROMEN-2-ONE
Formula:C10 H8 O2
SMILES:O=C2Oc1ccccc1C(=C2)C
InChi:InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
Synonyms:4-METHYLUMBELLIFERYL
Definition date:2006-03-24
Last modified:2020-06-17
Identifier:4-methyl-2H-chromen-2-one
S19
S19
Name:2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide
Formula:C17 H22 N6 O2
SMILES:O=C(N)c1c(nc(nc1)NC2CCOCC2N)Nc3ccc(cc3)C
InChi:InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
Synonyms:GSK143
Definition date:2011-07-12
Last modified:2020-06-17
Identifier:2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide
UHD
UHD
Name:6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE
Formula:C18 H25 N O3 S
SMILES:O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC
InChi:InChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,21H,2-11H2,1H3
Synonyms:3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL
Definition date:2004-03-29
Last modified:2020-06-17
Identifier:6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione
PMO
PMO
Name:N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHOXYBENZIMIDAZOLE
Formula:C13 H17 N2 O8 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1cc(OC)ccc12)C(O)C3O
InChi:InChI=1S/C13H17N2O8P/c1-21-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(23-13)5-22-24(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1
Synonyms:PHOSPORIC ACID MONO-[3,4-DIHYDROXY-5-(5-METHOXY-BENZOIMIDAZOL-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
Definition date:2001-07-09
Last modified:2020-06-17
Identifier:5-methoxy-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole
ZZ2
ZZ2
Name:4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
Formula:C8 H13 N3 O2
SMILES:O(c1nc(nc(c1)C)N)CCOC
InChi:InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-3-12-2/h5H,3-4H2,1-2H3,(H2,9,10,11)
Synonyms:4-(2-methoxy-ethoxy)-6-methyl-pyrimidine-2-ylamine
Definition date:2009-05-08
Last modified:2020-06-17
Identifier:4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
ZIL
ZIL
Name:N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine
Formula:C20 H30 N2 O5
SMILES:O=C(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C
InChi:InChI=1S/C20H30N2O5/c1-5-14(4)17(18(23)21-16(19(24)25)11-13(2)3)22-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t14-,16-,17-/m0/s1
Synonyms:Z-Ile-Leu
Definition date:2014-07-23
Last modified:2020-06-17
Release date:2014-10-08
Identifier:N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine
B2R
B2R
Name:3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate
Formula:C26 H29 N7 O4
SMILES:Cc1ccc2ccc(NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1
InChi:InChI=1S/C26H29N7O4/c1-17-5-7-19-9-11-21(30-23(19)28-17)32-25(34)36-15-3-13-27-14-4-16-37-26(35)33-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,27H,3-4,13-16H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35)
Synonyms:Naphthyridine Carbamate Dimer
Definition date:2019-01-08
Last modified:2020-06-17
Release date:2019-12-25
Identifier:3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate
P8D
P8D
Name:phosphinate pseudodipeptide L-Ala-D-Asp
Formula:C7 H14 N O6 P
SMILES:O=P(O)(C(N)C)CC(C(=O)O)CC(=O)O
InChi:InChI=1S/C7H14NO6P/c1-4(8)15(13,14)3-5(7(11)12)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5+/m1/s1
Synonyms:(2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid
Definition date:2009-10-23
Last modified:2020-06-17
Identifier:(2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid
SUV
SUV
Name:[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
Formula:C23 H23 Cl N6 O2
SMILES:O=C(c2cc(ccc2n1nccn1)C)N5C(C)CCN(c3nc4cc(Cl)ccc4o3)CC5
InChi:InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
Synonyms:suvorexant
Definition date:2014-10-27
Last modified:2020-06-17
Release date:2014-12-24
Identifier:[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
SUZ
SUZ
Name:[(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
Formula:C20 H17 F O3 S
SMILES:O=S(c1ccc(cc1)/C=C3c2ccc(F)cc2C(=C3C)CC(=O)O)C
InChi:InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/t25-/m1/s1
Synonyms:SULINDAC
Definition date:2008-11-18
Last modified:2020-06-17
Identifier:[(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
PMX
PMX
Name:3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine
Formula:C14 H14 Cl N O6
SMILES:Clc1cc(ccc1O)CC(C(=O)O)NC(=O)C=CC(=O)OC
InChi:InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m0/s1
Synonyms:(+)-Xylariamide A
Definition date:2010-11-02
Last modified:2020-06-17
Identifier:3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine
TOI
TOI
Name:(1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid
Formula:C26 H35 N4 O16 P2 S
SMILES:CC1=NC(=N)C(=CN1)C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](O)(CCC(O)=O)[CH]3C=C[CH](OC(=C)C(O)=O)[CH](O)[CH]3C(O)=O
InChi:InChI=1S/C26H34N4O16P2S/c1-12-18(7-9-44-48(42,43)46-47(39,40)41)49-25(30(12)11-15-10-28-14(3)29-22(15)27)26(38,8-6-19(31)32)16-4-5-17(45-13(2)23(34)35)21(33)20(16)24(36)37/h4-5,10,16-17,20-21,33,38H,2,6-9,11H2,1,3H3,(H7-,27,28,29,31,32,34,35,36,37,39,40,41,42,43)/p+1/t16-,17-,20+,21+,26-/m0/s1
Synonyms:ThDP, decarboxylated 2-oxoglutarate and isochorismate adduct, covalent intermediate II
Definition date:2015-11-17
Last modified:2020-06-17
Release date:2016-06-22
Identifier:(1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid
PMY
PMY
Name:AGLYCON OF PEPLOMYCIN
Formula:C48 H67 N17 O10 S2
SMILES:O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)C)CC(=O)N
InChi:InChI=1S/C48H67N17O10S2/c1-22-35(62-42(65-40(22)51)29(16-33(50)67)57-17-28(49)41(52)70)46(74)64-37(39(69)30-18-53-21-58-30)47(75)59-25(4)38(68)23(2)43(71)63-36(26(5)66)45(73)56-15-12-34-60-32(20-76-34)48-61-31(19-77-48)44(72)55-14-9-13-54-24(3)27-10-7-6-8-11-27/h6-8,10-11,18-21,23-26,28-29,36-39,54,57,66,68-69H,9,12-17,49H2,1-5H3,(H2,50,67)(H2,52,70)(H,53,58)(H,55,72)(H,56,73)(H,59,75)(H,63,71)(H,64,74)(H2,51,62,65)/t23-,24-,25+,26+,28-,29-,36-,37-,38-,39-/m0/s1
Synonyms:AGLYCON OF (S)-N1-[3-[(1-PHENYLETHYL)AMINO]-PROPYL]BLEOMYCINAMIDE
Definition date:1999-07-16
Last modified:2020-06-17
Identifier:2'-{(5S,8S,9S,10R,13S)-15-{6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}-9-hydroxy-5-[(1R)-1-hydroxyethyl]-13-[(R)-hydroxy(1H-imidazol-4-yl)methyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-N-(3-{[(1S)-1-phenylethyl]amino}propyl)-2,4'-bi-1,3-thiazole-4-carboxamide (non-preferred name)
U32
U32
Name:4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE
Formula:C12 H15 N3 O2 S2
SMILES:O=S(=O)(N)c2ccc(Nc1ncc(s1)C(C)C)cc2
InChi:InChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17)
Synonyms:PNU-230032
Definition date:2005-06-06
Last modified:2020-06-17
Identifier:4-{[5-(1-methylethyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
P8N
P8N
Name:(~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide
Formula:C29 H27 Cl N6 O3 S
SMILES:Cc1sc2n3c(C)nnc3[CH](CC(=O)NCc4ccc(C=CC(=O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C
InChi:InChI=1S/C29H27ClN6O3S/c1-16-17(2)40-29-26(16)27(21-9-11-22(30)12-10-21)32-23(28-34-33-18(3)36(28)29)14-25(38)31-15-20-6-4-19(5-7-20)8-13-24(37)35-39/h4-13,23,39H,14-15H2,1-3H3,(H,31,38)(H,35,37)/b13-8+/t23-/m0/s1
Synonyms:TW22
Definition date:2020-04-17
Last modified:2020-06-17
Release date:2020-05-27
Identifier:(~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide
XD6
XD6
Name:(5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE
Formula:C18 H19 Cl O6
SMILES:O=C1OCCC=C(C=O)CCCCC(=O)Cc2c1c(O)cc(O)c2Cl
InChi:InChI=1S/C18H19ClO6/c19-17-13-8-12(21)6-2-1-4-11(10-20)5-3-7-25-18(24)16(13)14(22)9-15(17)23/h5,9-10,22-23H,1-4,6-8H2/b11-5-
Synonyms:RESORCYCLIC ACID MACROLACTONE
Definition date:2010-04-29
Last modified:2020-06-17
Identifier:(5Z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-6-carbaldehyde

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数据于2025-11-19公开中

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