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9Z7
9Z7
Name:(3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione
Formula:C24 H25 N5 O4
SMILES:c15ccccc1C4(C3(NC(C(=C/c2cncn2)N3C(C(=C4)OC)=O)=O)N5OC)C(C)([C@H]=C)C
InChi:InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1
Synonyms:oxaline
Definition date:2017-06-27
Last modified:2020-06-17
Release date:2018-07-04
Identifier:(3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione
6CU
6CU
Name:(6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole
Formula:C21 H26 N2
SMILES:CCC4(CCC1C(c3c(C1(C)C)nc2c3cccc2)C4[N+]#[C-])C
InChi:InChI=1S/C21H26N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h7-10,14,17,19,23H,6,11-12H2,1-4H3/t14-,17-,19+,21+/m0/s1
Synonyms:12-epi-fischerindole U
Definition date:2016-03-14
Last modified:2020-06-17
Release date:2016-06-29
Identifier:(6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole
6D7
6D7
Name:(R)-orteronel
Formula:C18 H17 N3 O2
SMILES:C3(c1cc2c(cc1)cc(C(NC)=O)cc2)(CCn4cncc34)O
InChi:InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m1/s1
Synonyms:6-[(7R)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
Definition date:2016-03-16
Last modified:2020-06-17
Release date:2017-03-15
Identifier:6-[(7R)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
A03
A03
Name:(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide
Formula:C37 H63 N17 O9
SMILES:O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)C)CCCNC(=[N@H])N)CCCNC(=[N@H])N
InChi:InChI=1S/C37H63N17O9/c1-20(51-23(55)12-4-2-7-15-45-34(62)28-26(57)27(58)35(63-28)54-19-50-25-29(38)48-18-49-31(25)54)32(60)44-14-6-3-5-13-24(56)52-22(11-9-17-47-37(42)43)33(61)53-21(30(39)59)10-8-16-46-36(40)41/h18-22,26-28,35,57-58H,2-17H2,1H3,(H2,39,59)(H,44,60)(H,45,62)(H,51,55)(H,52,56)(H,53,61)(H2,38,48,49)(H4,40,41,46)(H4,42,43,47)/t20-,21-,22-,26+,27-,28+,35-/m1/s1
Synonyms:ARC-1039
Definition date:2010-05-27
Last modified:2020-06-17
Identifier:(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name)
A0B
A0B
Name:Phloxine B
Formula:C20 H3 Br4 Cl4 O5
SMILES:OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c([O-])c(Br)cc24)Br
InChi:InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)/p-1
Synonyms:Cyanosine
Definition date:2017-08-08
Last modified:2020-06-17
Release date:2018-03-07
Identifier:2,4,5,7-tetrakis(bromanyl)-9-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-6-oxidanylidene-xanthen-3-olate
A12
A12
Name:PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Formula:C11 H17 N5 O9 P2
SMILES:O=P(O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
Synonyms:ALPHA,BETA-METHYLENEADENOSINE-5'-DIPHOSPHATE
Definition date:2000-12-15
Last modified:2020-06-17
Identifier:5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]adenosine
A1E
A1E
Name:(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE
Formula:C32 H44 N4 O
SMILES:O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNc3c5ccccc5nc4c3CCCC4
InChi:InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m1/s1
Synonyms:(R)-N-9 -(1 ,2 ,3 ,4 -TETRAHYDROACRIDINYL)-N'-5 -[5 ,6 ,7 ,8 -TETRAHYDRO-2'(1'H)-QUINOLINONYL]-1,10-DIAMINODECANE
Definition date:2005-04-29
Last modified:2020-06-17
Identifier:(5R)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1H)-one
6ET
6ET
Name:capsazepine
Formula:C19 H21 Cl N2 O2 S
SMILES:c12cc(c(O)cc1CCCN(C2)C(=S)NCCc3ccc(cc3)Cl)O
InChi:InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
Synonyms:N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide
Definition date:2016-03-23
Last modified:2020-06-17
Release date:2016-05-25
Identifier:N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide
A1S
A1S
Name:isopentyl-Coenzyme A
Formula:C26 H46 N7 O16 P3 S
SMILES:C(SCCNC(CCNC(C(C(COP(OP(OCC3C(OP(O)(O)=O)C(O)C(n1cnc2c(ncnc12)N)O3)(O)=O)(O)=O)(C)C)O)=O)=O)CC(C)C
InChi:InChI=1S/C26H46N7O16P3S/c1-15(2)6-9-53-10-8-28-17(34)5-7-29-24(37)21(36)26(3,4)12-46-52(43,44)49-51(41,42)45-11-16-20(48-50(38,39)40)19(35)25(47-16)33-14-32-18-22(27)30-13-31-23(18)33/h13-16,19-21,25,35-36H,5-12H2,1-4H3,(H,28,34)(H,29,37)(H,41,42)(H,43,44)(H2,27,30,31)(H2,38,39,40)/t16-,19-,20-,21+,25-/m1/s1
Synonyms:isopentyl-CoA
Definition date:2017-07-05
Last modified:2020-06-17
Release date:2017-08-23
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate (non-preferred name)
A1Z
A1Z
Name:Vadadustat
Formula:C14 H11 Cl N2 O4
SMILES:OC(=O)CNC(=O)c1ncc(cc1O)c2cccc(Cl)c2
InChi:InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
Synonyms:GSK128863
Definition date:2017-08-09
Last modified:2020-06-17
Release date:2017-10-18
Identifier:2-[[5-(3-chlorophenyl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
A22
A22
Name:[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:C20 H27 N10 O16 P3
SMILES:O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(OP(=O)(O)O)C6O
InChi:InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-48(37,38)46-49(39,40)42-2-8-12(32)14(45-47(34,35)36)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
Synonyms:2'-PHOSPHATE BIS(ADENOSINE)-5'-DIPHOSPHATE
Definition date:2006-10-25
Last modified:2020-06-17
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
A2E
A2E
Name:(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE
Formula:C32 H44 N4 O
SMILES:O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNc3c5ccccc5nc4c3CCCC4
InChi:InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m0/s1
Synonyms:(S)-N-9 -(1 ,2 ,3 ,4 -TETRAHYDROACRIDINYL)-N'-5 -[5 ,6 ,7 ,8 -TETRAHYDRO-2'(1'H)-QUINOLINONYL]-1,10-DIAMINODECANE
Definition date:2005-05-03
Last modified:2020-06-17
Identifier:(5S)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1H)-one
A2Q
A2Q
Name:cyclohex-2-en-1-one
Formula:C6 H8 O
SMILES:O=C1C=CCCC1
InChi:InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
Synonyms:cyclohex-2-enone
Definition date:2013-02-21
Last modified:2020-06-17
Release date:2014-05-14
Identifier:cyclohex-2-en-1-one
A32
A32
Name:(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE
Formula:C20 H29 N3 O10
SMILES:[O-][N+](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCCN2CCOCC2)c3
InChi:InChI=1S/C20H29N3O10/c24-11-15-16(25)17(26)18(27)20(33-15)32-14-9-12(8-13(10-14)23(29)30)19(28)21-2-1-3-22-4-6-31-7-5-22/h8-10,15-18,20,24-27H,1-7,11H2,(H,21,28)/t15-,16+,17+,18-,20+/m1/s1
Synonyms:BMSC-0010
Definition date:2001-08-16
Last modified:2020-06-17
Identifier:3-(alpha-D-galactopyranosyloxy)-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide
6GT
6GT
Name:2-oxoheptanedioic acid
Formula:C7 H10 O5
SMILES:O=C(CCCCC(C(=O)O)=O)O
InChi:InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)
Synonyms:2-Ketopimelic acid
Definition date:2016-04-07
Last modified:2020-06-17
Release date:2016-08-17
Identifier:2-oxoheptanedioic acid
A3S
A3S
Name:SERINE-3'-AMINOADENOSINE
Formula:C13 H19 N7 O5
SMILES:O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)CO
InChi:InChI=1S/C13H19N7O5/c14-5(1-21)12(24)19-7-6(2-22)25-13(9(7)23)20-4-18-8-10(15)16-3-17-11(8)20/h3-7,9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,7+,9+,13+/m0/s1
Synonyms:N'-L-SERYL-3'-AMINO-(3'-DEOXY)-ADENOSINE
Definition date:2004-06-24
Last modified:2020-06-17
Identifier:3'-deoxy-3'-(L-serylamino)adenosine
A4A
A4A
Name:[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one
Formula:C16 H9 N O3
SMILES:O=C3Nc4c2c(c1OCOc1cc23)c5c(c4)cccc5
InChi:InChI=1S/C16H9NO3/c18-16-10-6-12-15(20-7-19-12)14-9-4-2-1-3-8(9)5-11(17-16)13(10)14/h1-6H,7H2,(H,17,18)
Synonyms:Aristolactam II
Definition date:2011-08-03
Last modified:2020-06-17
Identifier:[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one
A4F
A4F
Name:5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Formula:C20 H13 N O5
SMILES:OC(c1cc(N)ccc1C2=C4C=CC(C=C4Oc3c2ccc(c3)O)=O)=O
InChi:InChI=1S/C20H13NO5/c21-10-1-4-13(16(7-10)20(24)25)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25)
Synonyms:5-aminofluorescein
Definition date:2015-05-20
Last modified:2020-06-17
Release date:2015-11-04
Identifier:5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
A4S
A4S
Name:(2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate
Formula:C16 H25 N O7 P2
SMILES:O=P(O)(O)OP(=O)(O)OC/C=C(C)CC/C=C(/CNc1ccccc1)C
InChi:InChI=1S/C16H25NO7P2/c1-14(11-12-23-26(21,22)24-25(18,19)20)7-6-8-15(2)13-17-16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3,(H,21,22)(H2,18,19,20)/b14-11+,15-8+
Synonyms:anilinogeranyl diphosphate
Definition date:2014-11-04
Last modified:2020-06-17
Release date:2015-05-06
Identifier:(2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate
A54
A54
Name:2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile
Formula:C16 H15 Cl N2 O
SMILES:NCC[CH](Oc1cc(Cl)ccc1C#N)c2ccccc2
InChi:InChI=1S/C16H15ClN2O/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1
Synonyms:AR-C141954
Definition date:2010-12-19
Last modified:2020-06-17
Identifier:2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile
A5F
A5F
Name:N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide
Formula:C20 H23 N3 O4
SMILES:CC(C)(N)[CH](NC(=O)c1ccc(cc1)C#CC#C[CH]2C[CH]2CO)C(=O)NO
InChi:InChI=1S/C20H23N3O4/c1-20(2,21)17(19(26)23-27)22-18(25)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)12-24/h7-10,15-17,24,27H,11-12,21H2,1-2H3,(H,22,25)(H,23,26)/t15-,16+,17-/m1/s1
Synonyms:ACHN-975
Definition date:2018-10-02
Last modified:2020-06-17
Release date:2019-01-30
Identifier:~{N}-[(2~{S})-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamide
6J0
6J0
Name:N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
Formula:C17 H19 F N6
SMILES:Fc1cccc(c1)CCNCCNc2nc(ncc2)n3ccnc3
InChi:InChI=1S/C17H19FN6/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23)
Synonyms:(N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3-fluorophenethyl)ethane-1,2-diamine
Definition date:2014-10-21
Last modified:2020-06-17
Release date:2014-12-24
Identifier:N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
A5L
A5L
Name:9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine
Formula:C10 H13 F N5 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(F)C3O
InChi:InChI=1S/C10H13FN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1
Synonyms:2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL ADENINE-5'-PHOSPHATE
Definition date:2009-10-21
Last modified:2020-06-17
Identifier:9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine
A6G
A6G
Name:2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol
Formula:C11 H16 N5 O8 P
SMILES:O=P(O)(O)OCC3OCC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1S/C11H16N5O8P/c12-11-14-9-6(10(19)15-11)13-3-16(9)4-1-23-5(8(18)7(4)17)2-24-25(20,21)22/h3-5,7-8,17-18H,1-2H2,(H2,20,21,22)(H3,12,14,15,19)/t4-,5-,7+,8-/m1/s1
Synonyms:((2R,3S,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate
Definition date:2010-08-26
Last modified:2020-06-17
Identifier:2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol
A70
A70
Name:N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-L-norleucinamide
Formula:C42 H70 N6 O5
SMILES:O=C(N1CCN(C)CC1)N3C(C(=O)N(C(C(=O)NC(CC2CCCCC2)C(O)CC(C(=O)NCCCC)C(C)C)CCCC)CC3)Cc4ccccc4
InChi:InChI=1S/C42H70N6O5/c1-6-8-20-36(40(51)44-35(28-32-16-12-10-13-17-32)38(49)30-34(31(3)4)39(50)43-21-9-7-2)47-26-27-48(42(53)46-24-22-45(5)23-25-46)37(41(47)52)29-33-18-14-11-15-19-33/h11,14-15,18-19,31-32,34-38,49H,6-10,12-13,16-17,20-30H2,1-5H3,(H,43,50)(H,44,51)/t34-,35-,36-,37+,38-/m0/s1
Synonyms:A70450
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(2S,4S,5S)-5-{[(2S)-2-{(3R)-3-benzyl-4-[(4-methylpiperazin-1-yl)carbonyl]-2-oxopiperazin-1-yl}hexanoyl]amino}-N-butyl-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanamide

237992

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