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0F0
0F0
Name:3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
Formula:C28 H29 N7 O2
SMILES:O=C(Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nc(ccn3)c4cccnc4)CCCN(C)C
InChi:InChI=1S/C28H29N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-4,6-8,10-16,18-19H,5,9,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)
Definition date:2011-12-28
Last modified:2024-09-27
Identifier:3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
0F7
0F7
Name:N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide
Formula:C25 H35 F2 N3 O7
SMILES:O=C(O)C(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C)CC(F)F
InChi:InChI=1S/C25H35F2N3O7/c1-5-15(4)20(30-25(36)37-13-16-9-7-6-8-10-16)23(33)29-18(11-14(2)3)22(32)28-17(12-19(26)27)21(31)24(34)35/h6-10,14-15,17-20H,5,11-13H2,1-4H3,(H,28,32)(H,29,33)(H,30,36)(H,34,35)/t15-,17-,18-,20-/m0/s1
Definition date:2008-12-08
Last modified:2024-09-27
Identifier:N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide
0FI
0FI
Name:N-phenylthioformamide
Formula:C7 H7 N S
SMILES:S=CNc1ccccc1
InChi:InChI=1S/C7H7NS/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
Synonyms:PHENYL ISOTHIOCYANATE, bound form
Definition date:2012-04-08
Last modified:2024-09-27
Release date:2012-12-07
Identifier:N-phenylthioformamide
0FL
0FL
Name:3-amino-N-formyl-L-alanine
Formula:C4 H8 N2 O3
SMILES:O=CNC(C(=O)O)CN
InChi:InChI=1S/C4H8N2O3/c5-1-3(4(8)9)6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
Definition date:2010-09-24
Last modified:2024-09-27
Identifier:3-amino-N-formyl-L-alanine
0FP
0FP
Name:N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl-L-valyl-N~1~-[(2S,3S)-3-hydroxy-4-oxo-4-{[(1R)-1-phenylpropyl]amino}butan-2-yl]-N~4~,N~4~-dimethyl-L-aspartamide
Formula:C37 H63 N7 O7
SMILES:O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C)C(O)C(=O)NC(c1ccccc1)CC)CC(=O)N(C)C)C(C)(C)C)C(C)(C)C)CCCCCN
InChi:InChI=1S/C37H63N7O7/c1-11-25(24-18-14-12-15-19-24)40-33(49)29(47)23(2)39-32(48)26(22-28(46)44(9)10)41-34(50)31(37(6,7)8)43-35(51)30(36(3,4)5)42-27(45)20-16-13-17-21-38/h12,14-15,18-19,23,25-26,29-31,47H,11,13,16-17,20-22,38H2,1-10H3,(H,39,48)(H,40,49)(H,41,50)(H,42,45)(H,43,51)/t23-,25+,26-,29-,30+,31+/m0/s1
Synonyms:BILC 408
Definition date:2008-09-14
Last modified:2024-09-27
Identifier:N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl-L-valyl-N~1~-[(2S,3S)-3-hydroxy-4-oxo-4-{[(1R)-1-phenylpropyl]amino}butan-2-yl]-N~4~,N~4~-dimethyl-L-aspartamide
0G3
0G3
Name:N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide
Formula:C32 H29 F N6 O2 S
SMILES:CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3cc(ccn3)c4n(C)c(SC)nc4c5ccc(F)cc5)cc2
InChi:InChI=1S/C32H29FN6O2S/c1-4-28(40)36-26-7-5-6-22(18-26)31(41)37-25-14-12-24(13-15-25)35-27-19-21(16-17-34-27)30-29(38-32(42-3)39(30)2)20-8-10-23(33)11-9-20/h5-19H,4H2,1-3H3,(H,34,35)(H,36,40)(H,37,41)
Definition date:2021-06-05
Last modified:2024-09-27
Release date:2021-07-21
Identifier:~{N}-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide
0G6
0G6
Name:D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Formula:C21 H34 Cl N6 O3
SMILES:O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)C2N(C(=O)C(N)Cc1ccccc1)CCC2
InChi:InChI=1S/C21H33ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-18,29H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/p+1/t15-,16+,17+,18-/m1/s1
Synonyms:PPACK
Definition date:2008-09-14
Last modified:2024-09-27
Identifier:D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
0GE
0GE
Name:N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide
Formula:C26 H38 Cl N7 O7 S
SMILES:ClCC(O)C(NC(=O)CNC(=O)C(NS(=O)(=O)c2cccc1c(cccc12)N(C)C)CCC(=O)O)CCCNC(=[N@H])N
InChi:InChI=1S/C26H38ClN7O7S/c1-34(2)20-9-3-7-17-16(20)6-4-10-22(17)42(40,41)33-19(11-12-24(37)38)25(39)31-15-23(36)32-18(21(35)14-27)8-5-13-30-26(28)29/h3-4,6-7,9-10,18-19,21,33,35H,5,8,11-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)/t18-,19-,21+/m0/s1
Synonyms:1,5-DANSYL-GLU-GLY-ARG-CHLOROMETHYL KETONE, bound form
Definition date:2008-09-14
Last modified:2024-09-27
Identifier:N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide
0H8
0H8
Name:N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamide
Formula:C19 H35 N4 O8 P
SMILES:O=C(NC(CCCCN)P(=O)(O)O)C1N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC1
InChi:InChI=1S/C19H35N4O8P/c1-12(2)17(21-14(24)8-9-16(25)26)19(28)23-11-5-6-13(23)18(27)22-15(32(29,30)31)7-3-4-10-20/h12-13,15,17H,3-11,20H2,1-2H3,(H,21,24)(H,22,27)(H,25,26)(H2,29,30,31)/t13-,15+,17-/m0/s1
Definition date:2009-01-16
Last modified:2024-09-27
Identifier:N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamide
0HQ
0HQ
Name:diazomethane
Formula:C H2 N2
SMILES:[N-]=[N+]=C
InChi:InChI=1S/CH2N2/c1-3-2/h1H2
Synonyms:DIAZOMETHYL GROUP
Definition date:2008-12-09
Last modified:2024-09-27
Identifier:diazomethane
0I5
0I5
Name:N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide
Formula:C22 H32 F N3 O4
SMILES:O=C(NC(C(=O)NC(C(=O)CF)CCc1ccccc1)CC(C)C)N2CCOCC2
InChi:InChI=1S/C22H32FN3O4/c1-16(2)14-19(25-22(29)26-10-12-30-13-11-26)21(28)24-18(20(27)15-23)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1
Synonyms:Morpholino-Leu-homoPhe-FMK
Definition date:2008-09-14
Last modified:2024-09-27
Identifier:N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide
0IN
0IN
Name:7-(pyridin-3-ylmethyl)quinolin-8-ol
Formula:C15 H12 N2 O
SMILES:Oc1c(ccc2cccnc12)Cc3cccnc3
InChi:InChI=1S/C15H12N2O/c18-15-13(9-11-3-1-7-16-10-11)6-5-12-4-2-8-17-14(12)15/h1-8,10,18H,9H2
Definition date:2009-09-11
Last modified:2024-09-27
Identifier:7-(pyridin-3-ylmethyl)quinolin-8-ol
0IW
0IW
Name:Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide
Formula:C32 H40 N4 O4 S
SMILES:O=C(N1CCN(C)CC1)NC(C(=O)NC(CCc2ccccc2)CCS(=O)(=O)c3ccccc3)Cc4ccccc4
InChi:InChI=1S/C32H40N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,28,30H,17-25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1
Synonyms:APC-3316, bound form
Definition date:2008-09-14
Last modified:2024-09-27
Identifier:Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide
0JH
0JH
Name:tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
Formula:C24 H29 N5 O3
SMILES:O=C(OC(C)(C)C)C(C#N)Cc2c(c1c(ncnc1n2CCCO)N)c3ccc(cc3)C
InChi:InChI=1S/C24H29N5O3/c1-15-6-8-16(9-7-15)19-18(12-17(13-25)23(31)32-24(2,3)4)29(10-5-11-30)22-20(19)21(26)27-14-28-22/h6-9,14,17,30H,5,10-12H2,1-4H3,(H2,26,27,28)/t17-/m0/s1
Synonyms:(E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate, bound form
Definition date:2012-01-23
Last modified:2024-09-27
Identifier:tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
0JO
0JO
Name:2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid
Formula:C11 H13 N2 O7 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(=C)C(=O)O)C
InChi:InChI=1S/C11H13N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,14H,2,5H2,1H3,(H,15,16)(H2,17,18,19)/b13-4+
Definition date:2012-01-24
Last modified:2024-09-27
Identifier:2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid
0JT
0JT
Name:(4R)-4-amino-5-methylhexanoic acid
Formula:C7 H15 N O2
SMILES:O=C(O)CCC(N)C(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)6(8)3-4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
Definition date:2012-08-16
Last modified:2024-09-27
Release date:2012-08-24
Identifier:(4R)-4-amino-5-methylhexanoic acid
0JU
0JU
Name:(4S,5Z)-4-amino-5-iminopentanamide
Formula:C5 H11 N3 O
SMILES:O=C(N)CCC(C=[N@H])N
InChi:InChI=1S/C5H11N3O/c6-3-4(7)1-2-5(8)9/h3-4,6H,1-2,7H2,(H2,8,9)/b6-3-/t4-/m0/s1
Definition date:2012-01-27
Last modified:2024-09-27
Release date:2012-12-07
Identifier:(4S,5Z)-4-amino-5-iminopentanamide
0JY
0JY
Name:4-methyl-L-leucine
Formula:C7 H15 N O2
SMILES:O=C(O)C(N)CC(C)(C)C
InChi:InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
Definition date:2012-08-16
Last modified:2024-09-27
Release date:2012-10-26
Identifier:4-methyl-L-leucine
0L1
0L1
Name:hexanedioic acid
Formula:C6 H10 O4
SMILES:O=C(O)CCCCC(=O)O
InChi:InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
Synonyms:Adipic acid
Definition date:2012-02-08
Last modified:2024-09-27
Identifier:hexanedioic acid
0LB
0LB
Name:(1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide
Formula:C22 H27 F N4 O2
SMILES:O=C(N2CCN(c1ccc(F)cc1)CC2)C4CCCCC4C(=O)NC3(C#N)CC3
InChi:InChI=1S/C22H27FN4O2/c23-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21(29)19-4-2-1-3-18(19)20(28)25-22(15-24)9-10-22/h5-8,18-19H,1-4,9-14H2,(H,25,28)/t18-,19-/m1/s1
Definition date:2012-02-13
Last modified:2024-09-27
Identifier:(1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide
0LC
0LC
Name:(1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide
Formula:C23 H25 F N4 O2
SMILES:N#CC5(NC(=O)C4CCCCC4C(=O)N2Cc1c3c(nc1CC2)ccc(F)c3)CC5
InChi:InChI=1S/C23H25FN4O2/c24-14-5-6-19-17(11-14)18-12-28(10-7-20(18)26-19)22(30)16-4-2-1-3-15(16)21(29)27-23(13-25)8-9-23/h5-6,11,15-16,26H,1-4,7-10,12H2,(H,27,29)/t15-,16-/m1/s1
Definition date:2012-02-13
Last modified:2024-09-27
Identifier:(1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide
0LF
0LF
Name:(4R)-4-(4-phenylbutoxy)-L-proline
Formula:C15 H21 N O3
SMILES:O=C(O)C2NCC(OCCCCc1ccccc1)C2
InChi:InChI=1S/C15H21NO3/c17-15(18)14-10-13(11-16-14)19-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)/t13-,14+/m1/s1
Definition date:2012-02-14
Last modified:2024-09-27
Identifier:(4R)-4-(4-phenylbutoxy)-L-proline
0M6
0M6
Name:N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide
Formula:C17 H27 N3 O3 S
SMILES:S=C(Nc1ccccc1)NC(C(=O)NC(CCO)CO)CC(C)C
InChi:InChI=1S/C17H27N3O3S/c1-12(2)10-15(16(23)18-14(11-22)8-9-21)20-17(24)19-13-6-4-3-5-7-13/h3-7,12,14-15,21-22H,8-11H2,1-2H3,(H,18,23)(H2,19,20,24)/t14-,15-/m0/s1
Synonyms:SNJ-1715, bound form
Definition date:2012-02-28
Last modified:2024-09-27
Identifier:N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide
0MG
0MG
Name:amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
Formula:C7 H15 N4 O3
SMILES:O=C(C(=O)O)C(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C7H14N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4H,1-3,8H2,(H,13,14)(H4,9,10,11)/p+1/t4-/m0/s1
Definition date:2010-09-24
Last modified:2024-09-27
Identifier:amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
0MU
0MU
Name:(2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:C16 H23 N3 O8 S
SMILES:CC(=O)OC[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C=O
InChi:InChI=1S/C16H23N3O8S/c1-8(21)27-6-9-7-28-14(19-13(9)16(25)26)11(5-20)18-12(22)4-2-3-10(17)15(23)24/h5,9-11,14H,2-4,6-7,17H2,1H3,(H,18,22)(H,23,24)(H,25,26)/t9-,10+,11+,14+/m0/s1
Synonyms:CEPHALOSPORIN C, bound form
Definition date:2012-03-05
Last modified:2024-09-27
Release date:2017-07-12
Identifier:(2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

243083

數據於2025-10-15公開中

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