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TO4
TO4
Name:propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate
Formula:C15 H30 F O2 P
SMILES:P(CCCCCCCCCC[C@H]=C)(F)(=O)OC(C)C
InChi:InChI=1S/C15H30FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h4,15H,1,5-14H2,2-3H3/t19-/m1/s1
Synonyms:11-dodecenyl-phosphonofluoridic acid 1-methylethyl ester
Definition date:2020-03-25
Last modified:2020-06-17
Release date:2020-04-08
Identifier:propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate
NIW
NIW
Name:2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Formula:C21 H24 N2 O7
SMILES:O=C(c1c(c(c(nc1C)C)C(OC(C)C)=O)c2cc([N+]([O-])=O)ccc2)OCCOC
InChi:InChI=1S/C21H24N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12H,9-10H2,1-5H3
Synonyms:Nimodipine M (dehydro)
Definition date:2017-12-12
Last modified:2020-06-17
Release date:2019-03-13
Identifier:2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
PLS
PLS
Name:[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Formula:C11 H17 N2 O8 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CO
InChi:InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m0/s1
Synonyms:PYRIDOXYL-SERINE-5-MONOPHOSPHATE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-serine
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
OCV
OCV
Name:N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE
Formula:C14 H24 N2 O7 S
SMILES:O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:InChI=1S/C14H24N2O7S/c1-7(2)11(13(20)21)23-14(22)9(6-24)16-10(17)5-3-4-8(15)12(18)19/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t8-,9-,11+/m0/s1
Synonyms:L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER
Definition date:2001-04-12
Last modified:2020-06-17
Identifier:N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine
SUN
SUN
Name:O-[(R)-(DIMETHYLAMINO)(ETHOXY)PHOSPHORYL]-L-SERINE
Formula:C7 H17 N2 O5 P
SMILES:O=P(OCC)(OCC(N)C(=O)O)N(C)C
InChi:InChI=1S/C7H17N2O5P/c1-4-13-15(12,9(2)3)14-5-6(8)7(10)11/h6H,4-5,8H2,1-3H3,(H,10,11)/t6-,15+/m0/s1
Synonyms:TABUN CONJUGATED SERINE
Definition date:2007-01-25
Last modified:2020-06-17
Identifier:O-[(R)-(dimethylamino)(ethoxy)phosphoryl]-L-serine
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
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
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
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
PME
PME
Name:N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER
Formula:C14 H18 N2 O5
SMILES:O=C(O)CC(N)C(=O)NC(C(=O)OC)Cc1ccccc1
InChi:InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
Synonyms:ASPARTAME
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:methyl L-alpha-aspartyl-L-phenylalaninate
TP0
TP0
Name:Amitriptyline
Formula:C20 H23 N
SMILES:c3cc2c(/C(c1c(cccc1)CC2)=C/CCN(C)C)cc3
InChi:InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
Synonyms:3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine
Definition date:2010-11-09
Last modified:2020-06-17
Identifier:3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine
TP4
TP4
Name:N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID
Formula:C20 H25 N3 O10 S
SMILES:O=C(NCCC(=O)O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)CCC2
InChi:InChI=1S/C20H25N3O10S/c24-16(25)8-7-14(20(30)31)22-18(28)12-3-5-13(6-4-12)34(32,33)23-11-1-2-15(23)19(29)21-10-9-17(26)27/h3-6,14-15H,1-2,7-11H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)/t14-,15+/m0/s1
Synonyms:SP-876
Definition date:2000-06-13
Last modified:2020-06-17
Identifier:1-[(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)sulfonyl]-D-prolyl-beta-alanine
VRB
VRB
Name:Phycoviolobilin, blue light-absorbing form
Formula:C33 H42 N4 O6
SMILES:CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,27,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-/t27-/m1/s1
Synonyms:3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyr rol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Definition date:2012-08-28
Last modified:2020-06-17
Identifier:3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
TAN
TAN
Name:2,2-dimethylpropanenitrile
Formula:C5 H9 N
SMILES:CC(C)(C)C#N
InChi:InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3
Synonyms:Trimethylacetonitrile
Definition date:2009-10-06
Last modified:2020-06-17
Identifier:2,2-dimethylpropanenitrile
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
TPF
TPF
Name:2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Formula:C13 H12 F2 N6 O
SMILES:Fc1ccc(c(F)c1)C(O)(Cn2ncnc2)Cn3ncnc3
InChi:InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
Synonyms:FLUCONAZOLE
Definition date:2000-11-03
Last modified:2020-06-17
Identifier:2-(2,4-difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol
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)
075
075
Name:(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Formula:C40 H45 N5 O9 S2
SMILES:O=C(NC2c1ccccc1CC2O)C6N(C(=O)C(O)C(NC(=O)C(NC(=O)COc4c3ccncc3ccc4)CS(=O)(=O)C)Cc5ccccc5)CSC6(C)C
InChi:InChI=1S/C40H45N5O9S2/c1-40(2)36(38(50)44-34-28-14-8-7-12-25(28)19-31(34)46)45(23-55-40)39(51)35(48)29(18-24-10-5-4-6-11-24)43-37(49)30(22-56(3,52)53)42-33(47)21-54-32-15-9-13-26-20-41-17-16-27(26)32/h4-17,20,29-31,34-36,46,48H,18-19,21-23H2,1-3H3,(H,42,47)(H,43,49)(H,44,50)/t29-,30-,31+,34-,35-,36+/m0/s1
Synonyms:KNI-10075
Definition date:2007-04-18
Last modified:2020-06-17
Identifier:(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methylsulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
VSC
VSC
Name:N-[N'-BENZYLOXYCARBONYL-PHENYLALANINYL]-3-AMINO-5-PHENYL-PENTANE-1-SULFONIC ACID PHENYL ESTER
Formula:C34 H36 N2 O6 S
SMILES:O=S(=O)(Oc1ccccc1)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4
InChi:InChI=1S/C34H36N2O6S/c37-33(32(25-28-15-7-2-8-16-28)36-34(38)41-26-29-17-9-3-10-18-29)35-30(22-21-27-13-5-1-6-14-27)23-24-43(39,40)42-31-19-11-4-12-20-31/h1-20,30,32H,21-26H2,(H,35,37)(H,36,38)/t30-,32-/m0/s1
Synonyms:WRR-204
Definition date:2000-05-03
Last modified:2020-06-17
Identifier:phenyl (3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-phenylpentane-1-sulfonate
TBU
TBU
Name:TERTIARY-BUTYL ALCOHOL
Formula:C4 H10 O
SMILES:OC(C)(C)C
InChi:InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
Synonyms:2-METHYL-2-PROPANOL
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:2-methylpropan-2-ol
TBV
TBV
Name:3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL -2-YL]METHYL]-5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID
Formula:C37 H46 N4 O6
SMILES:Cc1c(Cc2[nH]c(OC(C)(C)C)c(C)c2C=C)[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
InChi:InChI=1S/C37H46N4O6/c1-10-23-22(6)36(47-37(7,8)9)41-30(23)17-28-21(5)26(13-15-34(44)45)32(39-28)18-31-25(12-14-33(42)43)20(4)27(38-31)16-29-19(3)24(11-2)35(46)40-29/h10-11,16,38-39,41H,1-2,12-15,17-18H2,3-9H3,(H,40,46)(H,42,43)(H,44,45)/b29-16-
Synonyms:BILIVERDIN
Definition date:2009-03-19
Last modified:2020-06-17
Identifier:3-[2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-4-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
NMA
NMA
Name:N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-2-METHYLALANINE
Formula:C12 H19 N2 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)C
InChi:InChI=1S/C12H19N2O7P/c1-7-10(15)9(5-14-12(2,3)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,5-6H2,1-3H3,(H,16,17)(H2,18,19,20)
Synonyms:N-PYRIDOXYL-2-METHYLALANINE-5-PHOSPHATE
Definition date:1999-11-17
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-D-alanine
YOK
YOK
Name:[[2,2'-[4-CARBOXYETHYL-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON
Formula:C23 H18 Fe N2 O4
SMILES:O=C(O)CCc6cc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)cc6
InChi:InChI=1S/C23H20N2O4.Fe/c26-21-7-3-1-5-17(21)14-24-19-11-9-16(10-12-23(28)29)13-20(19)25-15-18-6-2-4-8-22(18)27
Synonyms:SALOPHEN-10-PROPIONATE IRON CHELATE
Definition date:2005-03-09
Last modified:2020-06-17
Identifier:{3-[3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)phenyl]propanoato(2-)}iron(2+)
PP3
PP3
Name:ALANYL-PYRIDOXAL-5'-PHOSPHATE
Formula:C11 H17 N2 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
InChi:InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1
Synonyms:PYRIDOXYL-ALANINE-5-PHOSPHATE
Definition date:1999-08-12
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine

223532

건을2024-08-07부터공개중

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