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SGR
SGR
Name:O-[(R)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE
Formula:C4 H11 N2 O5 P
SMILES:O=P(OC)(OCC(N)C(=O)O)N
InChi:InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12+/m0/s1
Definition date:2007-02-13
Last modified:2011-06-04
Identifier:O-[(R)-amino(methoxy)phosphoryl]-L-serine
BD3
BD3
Name:Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide
Formula:C23 H28 N8 O3
SMILES:O=C(NCC=[N@H])C(NC(=O)c1cc(nn1C)C(C)(C)C)Cc3cc(c2nnc(o2)C=[N@H])ccc3
InChi:InChI=1S/C23H28N8O3/c1-23(2,3)18-12-17(31(4)30-18)21(33)27-16(20(32)26-9-8-24)11-14-6-5-7-15(10-14)22-29-28-19(13-25)34-22/h5-8,10,12-13,16,24-25H,9,11H2,1-4H3,(H,26,32)(H,27,33)/b24-8+,25-13-/t16-/m0/s1
Definition date:2009-06-19
Last modified:2011-06-04
Identifier:Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide
SGX
SGX
Name:O-[(S)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE
Formula:C4 H11 N2 O5 P
SMILES:O=P(OC)(OCC(N)C(=O)O)N
InChi:InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12-/m0/s1
Definition date:2007-02-13
Last modified:2011-06-04
Identifier:O-[(S)-amino(methoxy)phosphoryl]-L-serine
BD5
BD5
Name:N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine
Formula:C35 H35 N3 O8
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc2ccc(O)cc2)Cc3ccccc3)Cc4ccc(O)cc4
InChi:InChI=1S/C35H35N3O8/c39-27-15-11-24(12-16-27)20-30(38-35(45)46-22-26-9-5-2-6-10-26)33(42)36-29(19-23-7-3-1-4-8-23)32(41)37-31(34(43)44)21-25-13-17-28(40)18-14-25/h1-18,29-31,39-40H,19-22H2,(H,36,42)(H,37,41)(H,38,45)(H,43,44)/t29-,30+,31-/m0/s1
Definition date:2009-06-22
Last modified:2011-06-04
Identifier:N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine
BD6
BD6
Name:N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-N-hydroxy-L-tryptophanamide
Formula:C35 H37 N7 O6
SMILES:O=C(OCc1ccccc1)NC(C(=O)N(C)C(C(=O)NC(C(=O)NO)Cc3c2ccccc2nc3)Cc4ccccc4)Cc5cncn5
InChi:InChI=1S/C35H37N7O6/c1-42(34(45)30(18-26-20-36-22-38-26)40-35(46)48-21-24-12-6-3-7-13-24)31(16-23-10-4-2-5-11-23)33(44)39-29(32(43)41-47)17-25-19-37-28-15-9-8-14-27(25)28/h2-15,19-20,22,29-31,37,47H,16-18,21H2,1H3,(H,36,38)(H,39,44)(H,40,46)(H,41,43)/t29-,30-,31-/m0/s1
Definition date:2009-06-22
Last modified:2011-06-04
Identifier:N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-N-hydroxy-L-tryptophanamide
BD7
BD7
Name:N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-N-hydroxy-L-tyrosinamide
Formula:C33 H36 N6 O7
SMILES:O=C(NO)C(NC(=O)C(N(C(=O)C(NC(=O)OCc1ccccc1)Cc2cncn2)C)Cc3ccccc3)Cc4ccc(O)cc4
InChi:InChI=1S/C33H36N6O7/c1-39(32(43)28(18-25-19-34-21-35-25)37-33(44)46-20-24-10-6-3-7-11-24)29(17-22-8-4-2-5-9-22)31(42)36-27(30(41)38-45)16-23-12-14-26(40)15-13-23/h2-15,19,21,27-29,40,45H,16-18,20H2,1H3,(H,34,35)(H,36,42)(H,37,44)(H,38,41)/t27-,28-,29-/m0/s1
Definition date:2009-06-22
Last modified:2011-06-04
Identifier:N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-N-hydroxy-L-tyrosinamide
SH1
SH1
Name:N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE
Formula:C20 H34 N6 O6 S
SMILES:O=C(NC(CCC/N=C(N)N)CO)C(NC(=O)C(NS(=O)(=O)CCc1ccccc1)CO)C
InChi:InChI=1S/C20H34N6O6S/c1-14(18(29)25-16(12-27)8-5-10-23-20(21)22)24-19(30)17(13-28)26-33(31,32)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,26-28H,5,8-13H2,1H3,(H,24,30)(H,25,29)(H4,21,22,23)/t14-,16-,17+/m0/s1
Definition date:2004-06-15
Last modified:2011-06-04
Identifier:N-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylidene)amino]-1-(hydroxymethyl)butyl]-L-alaninamide
BD8
BD8
Name:N-undecanoyl-L-histidyl-L-phenylalanyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide
Formula:C43 H57 N7 O5
SMILES:O=C(N(CCc1ncccc1)C)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCCC)Cc2ncnc2)Cc3ccccc3)Cc4ccc(O)cc4
InChi:InChI=1S/C43H57N7O5/c1-3-4-5-6-7-8-9-13-19-40(52)47-38(29-35-30-44-31-46-35)42(54)48-37(27-32-16-11-10-12-17-32)41(53)49-39(28-33-20-22-36(51)23-21-33)43(55)50(2)26-24-34-18-14-15-25-45-34/h10-12,14-18,20-23,25,30-31,37-39,51H,3-9,13,19,24,26-29H2,1-2H3,(H,44,46)(H,47,52)(H,48,54)(H,49,53)/t37-,38-,39-/m0/s1
Definition date:2009-06-22
Last modified:2011-06-04
Identifier:N-undecanoyl-L-histidyl-L-phenylalanyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide
BD9
BD9
Name:N-undecanoyl-L-histidyl-L-histidyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide
Formula:C40 H55 N9 O5
SMILES:O=C(N(CCc1ncccc1)C)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCCC)Cc2cncn2)Cc3ncnc3)Cc4ccc(O)cc4
InChi:InChI=1S/C40H55N9O5/c1-3-4-5-6-7-8-9-10-14-37(51)46-34(23-31-25-41-27-44-31)38(52)47-35(24-32-26-42-28-45-32)39(53)48-36(22-29-15-17-33(50)18-16-29)40(54)49(2)21-19-30-13-11-12-20-43-30/h11-13,15-18,20,25-28,34-36,50H,3-10,14,19,21-24H2,1-2H3,(H,41,44)(H,42,45)(H,46,51)(H,47,52)(H,48,53)/t34-,35-,36-/m0/s1
Definition date:2009-06-22
Last modified:2011-06-04
Identifier:N-undecanoyl-L-histidyl-L-histidyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide
BDH
BDH
Name:L-BETA-ASPARTYLHISTIDINE
Formula:C10 H14 N4 O5
SMILES:O=C(O)C(N)CC(=O)NC(C(=O)O)Cc1cncn1
InChi:InChI=1S/C10H14N4O5/c11-6(9(16)17)2-8(15)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7-/m0/s1
Definition date:2005-02-01
Last modified:2011-06-04
Identifier:L-beta-aspartyl-L-histidine
SHC
SHC
Name:S-HEXYLCYSTEINE
Formula:C9 H19 N O2 S
SMILES:O=C(O)C(N)CSCCCCCC
InChi:InChI=1S/C9H19NO2S/c1-2-3-4-5-6-13-7-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:S-hexyl-L-cysteine
SHW
SHW
Name:S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxyoctanethioate
Formula:C19 H37 N2 O9 P S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(O)CCCCC
InChi:InChI=1S/C19H37N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h14,17,22,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t14-,17-/m1/s1
Definition date:2009-10-15
Last modified:2011-06-04
Identifier:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxyoctanethioate
SI1
SI1
Name:N-(BUTYLSULFONYL)-D-SERYL-N-{4-[AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE
Formula:C18 H29 N5 O5 S
SMILES:O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)C)CO)CCCC
InChi:InChI=1S/C18H29N5O5S/c1-3-4-9-29(27,28)23-15(11-24)18(26)22-12(2)17(25)21-10-13-5-7-14(8-6-13)16(19)20/h5-8,12,15,23-24H,3-4,9-11H2,1-2H3,(H3,19,20)(H,21,25)(H,22,26)/t12-,15+/m0/s1
Definition date:2004-06-15
Last modified:2011-06-04
Identifier:N-(butylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)-L-alaninamide
SIR
SIR
Name:COBALT SIROHYDROCHLORIN
Formula:C42 H44 Co N4 O16
SMILES:O=C(O)CC5(C(=C3C=C1C(=C(c8n1[Co+2]47n2c(c(c(c2cc6n7C(=CC5N34)C(CCC(=O)O)C6(CC(=O)O)C)CC(=O)O)CCC(=O)O)c8)CCC(=O)O)CC(=O)O)CCC(=O)O)C
InChi:InChI=1S/C42H44N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29
Definition date:2010-11-04
Last modified:2011-06-04
Identifier:{3,3',3'',3'''-[(8S,9S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,9,12,13,22,24-hexahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}cobalt(2+)
BEY
BEY
Name:(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
Formula:C19 H24 N O4 P
SMILES:O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc2ccccc2
InChi:InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1
Definition date:2008-09-16
Last modified:2011-06-04
Identifier:(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
SJ1
SJ1
Name:N-(ISOBUTOXYCARBONYL)-D-SERYL-N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-L-ALANINAMIDE
Formula:C17 H32 N6 O6
SMILES:O=C(NC(C(=O)NC(C=O)CCCNC(=[N@H])N)C)C(NC(=O)OCC(C)C)CO
InChi:InChI=1S/C17H32N6O6/c1-10(2)9-29-17(28)23-13(8-25)15(27)21-11(3)14(26)22-12(7-24)5-4-6-20-16(18)19/h7,10-13,25H,4-6,8-9H2,1-3H3,(H,21,27)(H,22,26)(H,23,28)(H4,18,19,20)/t11-,12-,13+/m0/s1
Definition date:2004-06-15
Last modified:2011-06-04
Identifier:N-[(2-methylpropoxy)carbonyl]-D-seryl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-alaninamide
BFG
BFG
Name:3,3-diphenyl-N-(2-sulfanylethyl)propanamide
Formula:C17 H19 N O S
SMILES:O=C(NCCS)CC(c1ccccc1)c2ccccc2
InChi:InChI=1S/C17H19NOS/c19-17(18-11-12-20)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,18,19)
Definition date:2010-03-15
Last modified:2011-06-04
Identifier:3,3-diphenyl-N-(2-sulfanylethyl)propanamide
BFL
BFL
Name:2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID
Formula:C15 H14 O2
SMILES:O=C(O)C(c2ccc(c1ccccc1)cc2)C
InChi:InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1
Definition date:2003-08-18
Last modified:2011-06-04
Identifier:(2S)-2-biphenyl-4-ylpropanoic acid
SK1
SK1
Name:N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE
Formula:C21 H27 N5 O5 S
SMILES:O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(C(=[N@H])N)cc1)C)CO)Cc2ccccc2
InChi:InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1
Definition date:2004-06-15
Last modified:2011-06-04
Identifier:N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)-L-alaninamide
BG1
BG1
Name:O-[(2S)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-L-serine
Formula:C10 H21 N3 O6 S
SMILES:O=S(=O)(NC)N(C(C(=O)OCC(C(=O)O)N)CCC)C
InChi:InChI=1S/C10H21N3O6S/c1-4-5-8(13(3)20(17,18)12-2)10(16)19-6-7(11)9(14)15/h7-8,12H,4-6,11H2,1-3H3,(H,14,15)/t7-,8-/m0/s1
Definition date:2007-11-08
Last modified:2011-06-04
Identifier:O-{(2S)-2-[methyl(methylsulfamoyl)amino]pentanoyl}-L-serine
BH0
BH0
Name:3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE
Formula:C32 H30 N4 O6 S
SMILES:O=S(=O)(c1cccc(C#N)c1)N2N(C(=O)N(C(C(O)C2)Cc3ccccc3)Cc4ccc(O)cc4)Cc5ccc(O)cc5
InChi:InChI=1S/C32H30N4O6S/c33-19-26-7-4-8-29(17-26)43(41,42)36-22-31(39)30(18-23-5-2-1-3-6-23)34(20-24-9-13-27(37)14-10-24)32(40)35(36)21-25-11-15-28(38)16-12-25/h1-17,30-31,37-39H,18,20-22H2/t30-,31-/m1/s1
Definition date:2004-05-11
Last modified:2011-06-04
Identifier:3-{[(5R,6R)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitrile
SLD
SLD
Name:(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide
Formula:C25 H28 F N5 O6
SMILES:O=C(NCC3OC(=O)N(c2ccc(/C=C/CCCNC(=O)C/C=C1/C(=NC(=O)NC1=O)C)c(F)c2)C3)C
InChi:InChI=1S/C25H28FN5O6/c1-15-20(23(34)30-24(35)29-15)9-10-22(33)27-11-5-3-4-6-17-7-8-18(12-21(17)26)31-14-19(37-25(31)36)13-28-16(2)32/h4,6-9,12,19H,3,5,10-11,13-14H2,1-2H3,(H,27,33)(H,28,32)(H,30,34,35)/b6-4+,20-9-/t19-/m0/s1
Definition date:2008-07-16
Last modified:2011-06-04
Identifier:(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide
BHM
BHM
Name:(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
Formula:C11 H10 Br F3 N2 O4
SMILES:O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(O)(C)CBr
InChi:InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1
Definition date:2005-09-14
Last modified:2011-06-04
Identifier:(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
SLP
SLP
Name:3-selanylpropanoic acid
Formula:C3 H6 O2 Se
SMILES:OC(=O)CC[SeH]
InChi:InChI=1S/C3H6O2Se/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
Definition date:2009-11-10
Last modified:2011-06-04
Identifier:3-selanylpropanoic acid
SLQ
SLQ
Name:(2S)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
Formula:C24 H29 N7 O
SMILES:n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc4ccc(c3ncccc3)cc4
InChi:InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m0/s1
Definition date:2010-02-22
Last modified:2011-06-04
Identifier:(2S)-2-{[9-(propan-2-yl)-6-{[4-(pyridin-2-yl)benzyl]amino}-9H-purin-2-yl]amino}butan-1-ol

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數據於2024-07-10公開中

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