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X4M
X4M
Name:(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
Formula:C20 H25 N7 O10 P2 S2
SMILES:c1nc6c(n1C5C3C(C(COP(S)(OC2CC(CC2COP(S)(O3)=O)Oc4ncncc4)=O)O5)O)N=C(NC6=O)N
InChi:InChI=1S/C20H25N7O10P2S2/c21-20-25-17-14(18(29)26-20)24-8-27(17)19-16-15(28)12(35-19)6-33-38(30,40)36-11-4-10(34-13-1-2-22-7-23-13)3-9(11)5-32-39(31,41)37-16/h1-2,7-12,15-16,19,28H,3-6H2,(H,30,40)(H,31,41)(H3,21,25,26,29)/t9-,10-,11+,12-,15-,16-,19-,38-,39-/m1/s1
Definition date:2020-11-30
Last modified:2021-05-28
Release date:2021-06-02
Identifier:(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
R7Y
R7Y
Name:(1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-D-glucopyranoside
Formula:C20 H39 N5 O10
SMILES:CC(=O)NC1CC(C(OC1OC2C(N)CC(C(C2O)OC3OC(CO)C(O)C(C3O)N)N)CN)O
InChi:InChI=1S/C20H39N5O10/c1-6(27)25-9-3-10(28)11(4-21)32-19(9)34-17-7(22)2-8(23)18(16(17)31)35-20-15(30)13(24)14(29)12(5-26)33-20/h7-20,26,28-31H,2-5,21-24H2,1H3,(H,25,27)/t7-,8+,9+,10-,11+,12+,13-,14+,15+,16-,17+,18-,19+,20+/m0/s1
Synonyms:acetylated-tobramycin
Definition date:2020-02-07
Last modified:2021-05-28
Release date:2021-06-02
Identifier:(1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside
R85
R85
Name:5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
Formula:C30 H38 Cl N8 O2 P
SMILES:COc1cc(N2CCC(CC2)N(C)C)c(cc1Nc3ncc(Cl)c(Nc4ccccc4[P](C)(C)=O)n3)c5cnn(C)c5
InChi:InChI=1S/C30H38ClN8O2P/c1-37(2)21-11-13-39(14-12-21)26-16-27(41-4)25(15-22(26)20-17-33-38(3)19-20)35-30-32-18-23(31)29(36-30)34-24-9-7-8-10-28(24)42(5,6)40/h7-10,15-19,21H,11-14H2,1-6H3,(H2,32,34,35,36)
Definition date:2020-09-17
Last modified:2021-05-28
Release date:2021-06-02
Identifier:5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
X5J
X5J
Name:(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
Formula:C20 H26 N8 O9 P2 S2
SMILES:c1nc6c(n1C2OC3COP(=O)(OC4CC(CC4COP(=O)(OC2C3O)S)Nc5ncncc5)S)N=C(NC6=O)N
InChi:InChI=1S/C20H26N8O9P2S2/c21-20-26-17-14(18(30)27-20)24-8-28(17)19-16-15(29)12(35-19)6-34-38(31,40)36-11-4-10(25-13-1-2-22-7-23-13)3-9(11)5-33-39(32,41)37-16/h1-2,7-12,15-16,19,29H,3-6H2,(H,31,40)(H,32,41)(H,22,23,25)(H3,21,26,27,30)/t9-,10-,11+,12-,15-,16-,19-,38-,39-/m1/s1
Definition date:2020-11-30
Last modified:2021-05-28
Release date:2021-06-02
Identifier:(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
ZNM
ZNM
Name:3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
Formula:C27 H31 F5 N4 O
SMILES:FCCCN1CC(C1)Nc1cc(F)c(c(F)c1)C1c2[NH]c3ccccc3c2CC(C)N1CC(F)(F)CO
InChi:InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1
Definition date:2021-05-11
Last modified:2021-05-28
Release date:2021-06-02
Identifier:3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
RN9
RN9
Name:3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide
Formula:C25 H23 Cl N4 O5
SMILES:Cc1ccc(NC(=O)CCc2cccc(NC3=CC(=O)N([CH]4CCC(=O)NC4=O)C3=O)c2)cc1Cl
InChi:InChI=1S/C25H23ClN4O5/c1-14-5-7-17(12-18(14)26)28-21(31)9-6-15-3-2-4-16(11-15)27-19-13-23(33)30(25(19)35)20-8-10-22(32)29-24(20)34/h2-5,7,11-13,20,27H,6,8-10H2,1H3,(H,28,31)(H,29,32,34)/t20-/m0/s1
Definition date:2021-02-12
Last modified:2021-05-28
Release date:2021-06-02
Identifier:3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide
UWJ
UWJ
Name:5-methyl-1-(2-Se-methyl-5-O-phosphono-2-seleno-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
Formula:C11 H17 N2 O8 P Se
SMILES:C1(NC(C(=CN1C2OC(COP(=O)(O)O)C(O)C2[Se]C)C)=O)=O
InChi:InChI=1S/C11H17N2O8PSe/c1-5-3-13(11(16)12-9(5)15)10-8(23-2)7(14)6(21-10)4-20-22(17,18)19/h3,6-8,10,14H,4H2,1-2H3,(H,12,15,16)(H2,17,18,19)/t6-,7-,8+,10-/m1/s1
Definition date:2020-06-02
Last modified:2021-05-28
Release date:2021-06-02
Identifier:5-methyl-1-(2-Se-methyl-5-O-phosphono-2-seleno-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
U4B
U4B
Name:3-fluoranylpyridine-2,4-dicarboxylic acid
Formula:C7 H4 F N O4
SMILES:OC(=O)c1ccnc(C(O)=O)c1F
InChi:InChI=1S/C7H4FNO4/c8-4-3(6(10)11)1-2-9-5(4)7(12)13/h1-2H,(H,10,11)(H,12,13)
Definition date:2021-01-20
Last modified:2021-05-28
Release date:2021-06-02
Identifier:3-fluoranylpyridine-2,4-dicarboxylic acid
U4Q
U4Q
Name:5-fluoranylpyridine-2,4-dicarboxylic acid
Formula:C7 H4 F N O4
SMILES:OC(=O)c1cc(C(O)=O)c(F)cn1
InChi:InChI=1S/C7H4FNO4/c8-4-2-9-5(7(12)13)1-3(4)6(10)11/h1-2H,(H,10,11)(H,12,13)
Definition date:2021-01-21
Last modified:2021-05-28
Release date:2021-06-02
Identifier:5-fluoranylpyridine-2,4-dicarboxylic acid
UK8
UK8
Name:4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
Formula:C21 H13 Cl F3 N3 O4
SMILES:OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]nc4)cc1
InChi:InChI=1S/C21H13ClF3N3O4/c22-16-3-1-2-15(21(23,24)25)17(16)18-14(19(32-28-18)12-8-26-27-9-12)10-31-13-6-4-11(5-7-13)20(29)30/h1-9H,10H2,(H,26,27)(H,29,30)
Definition date:2021-02-26
Last modified:2021-05-28
Release date:2021-06-02
Identifier:4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
UKB
UKB
Name:4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid
Formula:C22 H13 Cl F4 N2 O4
SMILES:OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]cc4)cc1F
InChi:InChI=1S/C22H13ClF4N2O4/c23-16-3-1-2-15(22(25,26)27)18(16)19-14(20(33-29-19)11-6-7-28-9-11)10-32-12-4-5-13(21(30)31)17(24)8-12/h1-9,28H,10H2,(H,30,31)
Definition date:2021-02-26
Last modified:2021-05-28
Release date:2021-06-02
Identifier:4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid
VDS
VDS
Name:beta-D-allofuranose
Formula:C6 H12 O6
SMILES:C1(O)C(C(CO)O)OC(C1O)O
InChi:InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4-,5-,6-/m1/s1
Definition date:2020-07-30
Last modified:2021-05-28
Release date:2021-06-02
Identifier:beta-D-allofuranose
VDV
VDV
Name:alpha-D-allofuranose
Formula:C6 H12 O6
SMILES:C1(O)C(C(CO)O)OC(C1O)O
InChi:InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4-,5-,6+/m1/s1
Definition date:2020-07-30
Last modified:2021-05-28
Release date:2021-06-02
Identifier:alpha-D-allofuranose
W9A
W9A
Name:(1R)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol
Formula:C17 H28 F N O2
SMILES:C(C(c1ccc(F)c(OCC(CCC)CCC)c1)O)CN
InChi:InChI=1S/C17H28FNO2/c1-3-5-13(6-4-2)12-21-17-11-14(7-8-15(17)18)16(20)9-10-19/h7-8,11,13,16,20H,3-6,9-10,12,19H2,1-2H3/t16-/m1/s1
Definition date:2020-10-01
Last modified:2021-05-28
Release date:2021-06-02
Identifier:(1R)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol
X8P
X8P
Name:(tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium
Formula:C58 H62 N8 O3 Ru S
SMILES:C(C(Cc1ccccc1)NC(OC(C)(C)C)=O)SC(Cc2ccccc2)C(NCCCc3cn(ccc3)[Ru]68%11(n4c(cccc4c5n6cccc5)c7ccccn78)n9c(cccc9C)c%10cccc(n%10%11)C)=O
InChi:InChI=1S/C31H39N3O3S.C15H11N3.C12H12N2.Ru/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26
Definition date:2020-12-03
Last modified:2021-05-28
Release date:2021-06-02
Identifier:(tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)propyl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium
X8S
X8S
Name:(tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappaN)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium
Formula:C50 H54 N8 O3 Ru S
SMILES:C(CSCCC(NCc1cn(ccc1)[Ru]369(n4c(cccc4c2ccccn23)c5ccccn56)n7c(cccc7C)c8cccc(n89)C)=O)(Cc%10ccccc%10)NC(=O)OC(C)(C)C
InChi:InChI=1S/C23H31N3O3S.C15H11N3.C12H12N2.Ru/c1-23(2,3)29-22(28)26-20(14-18-8-5-4-6-9-18)17-30-13-11-21(27)25-16-19-10-7-12-24-15-19
Definition date:2020-12-03
Last modified:2021-05-28
Release date:2021-06-02
Identifier:(tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappaN)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium
RQ2
RQ2
Name:Ganciclovir triphosphate
Formula:C9 H16 N5 O13 P3
SMILES:NC1=Nc2n(CO[CH](CO)CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)cnc2C(=O)N1
InChi:InChI=1S/C9H16N5O13P3/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-24-5(1-15)2-25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5,15H,1-2,4H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,10,12,13,16)/t5-/m1/s1
Synonyms:[[(2~{R})-2-[(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Definition date:2020-10-15
Last modified:2021-05-28
Release date:2021-06-02
Identifier:[[(2~{R})-2-[(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate
UZJ
UZJ
Name:2-deoxy-beta-D-ribopyranose
Formula:C5 H10 O4
SMILES:C1(O)C(CC(O)OC1)O
InChi:InChI=1S/C5H10O4/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5+/m0/s1
Synonyms:2-deoxy-beta-D-erythro-pentopyranose
Definition date:2020-06-09
Last modified:2021-05-28
Release date:2021-06-02
Identifier:2-deoxy-beta-D-erythro-pentopyranose
ULT
ULT
Name:4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
Formula:C22 H14 Cl F3 N2 O4
SMILES:OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]cc4)cc1
InChi:InChI=1S/C22H14ClF3N2O4/c23-17-3-1-2-16(22(24,25)26)18(17)19-15(20(32-28-19)13-8-9-27-10-13)11-31-14-6-4-12(5-7-14)21(29)30/h1-10,27H,11H2,(H,29,30)
Synonyms:FM156
Definition date:2021-03-01
Last modified:2021-05-28
Release date:2021-06-02
Identifier:4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
XQ7
XQ7
Name:(1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol
Formula:C16 H23 F2 N O2
SMILES:FC1(CCC(CC1)COc2cccc(c2)C(O)CCN)F
InChi:InChI=1S/C16H23F2NO2/c17-16(18)7-4-12(5-8-16)11-21-14-3-1-2-13(10-14)15(20)6-9-19/h1-3,10,12,15,20H,4-9,11,19H2/t15-/m1/s1
Synonyms:gem-difluoro-(R)-emixustat
Definition date:2020-12-30
Last modified:2021-05-28
Release date:2021-06-02
Identifier:(1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol
U95
U95
Name:4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
Formula:C22 H14 Cl F3 N2 O4
SMILES:OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4[nH]ccc4)cc1
InChi:InChI=1S/C22H14ClF3N2O4/c23-16-4-1-3-15(22(24,25)26)18(16)19-14(20(32-28-19)17-5-2-10-27-17)11-31-13-8-6-12(7-9-13)21(29)30/h1-10,27H,11H2,(H,29,30)
Definition date:2021-02-03
Last modified:2021-05-28
Release date:2021-06-02
Identifier:4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
PZC
PZC
Name:(2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide
Formula:C27 H50 N6 O11
SMILES:CNC1C(COC(C1O)OC3C(O)C(OC2C(CC=C(CNCCO)O2)NC(C)=O)C(N)CC3NC(=O)C(CCN)O)(C)O
InChi:InChI=1S/C27H50N6O11/c1-13(35)32-16-5-4-14(11-31-8-9-34)42-25(16)43-21-15(29)10-17(33-24(39)18(36)6-7-28)22(19(21)37)44-26-20(38)23(30-3)27(2,40)12-41-26/h4,15-23,25-26,30-31,34,36-38,40H,5-12,28-29H2,1-3H3,(H,32,35)(H,33,39)/t15-,16+,17+,18-,19-,20+,21+,22-,23+,25+,26+,27-/m0/s1
Synonyms:acetylated-plazomicin
Definition date:2020-02-03
Last modified:2021-05-28
Release date:2021-06-02
Identifier:(2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide
Q5W
Q5W
Name:methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate
Formula:C17 H14 O2
SMILES:COC(=O)C(C)=Cc1ccc2cc(ccc2c1)C#C
InChi:InChI=1S/C17H14O2/c1-4-13-5-7-16-11-14(6-8-15(16)10-13)9-12(2)17(18)19-3/h1,5-11H,2-3H3/b12-9-
Definition date:2020-05-19
Last modified:2021-05-28
Release date:2021-06-02
Identifier:methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate
H8S
H8S
Name:N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Formula:C28 H42 N4 O3 S
SMILES:C(c1ccc3c(c1)sc(CC(NC(=O)CC)C(NC(C2CCCCC2)CNC(=O)C(C)C)=O)n3)(C)C
InChi:InChI=1S/C28H42N4O3S/c1-6-25(33)30-22(15-26-31-21-13-12-20(17(2)3)14-24(21)36-26)28(35)32-23(16-29-27(34)18(4)5)19-10-8-7-9-11-19/h12-14,17-19,22-23H,6-11,15-16H2,1-5H3,(H,29,34)(H,30,33)(H,32,35)/t22-,23+/m0/s1
Definition date:2018-06-15
Last modified:2021-05-28
Release date:2021-06-02
Identifier:N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
H8V
H8V
Name:(2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide
Formula:C33 H51 N5 O4 S
SMILES:CC(c3ccc4nc(CC(NC(=O)CC)C(NC(C1CCCCC1)CNC(=O)C(CCN2CCOCC2)C)=O)sc4c3)C
InChi:InChI=1S/C33H51N5O4S/c1-5-30(39)35-27(20-31-36-26-12-11-25(22(2)3)19-29(26)43-31)33(41)37-28(24-9-7-6-8-10-24)21-34-32(40)23(4)13-14-38-15-17-42-18-16-38/h11-12,19,22-24,27-28H,5-10,13-18,20-21H2,1-4H3,(H,34,40)(H,35,39)(H,37,41)/t23-,27+,28-/m1/s1
Definition date:2018-06-15
Last modified:2021-05-28
Release date:2021-06-02
Identifier:(2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide

223790

건을2024-08-14부터공개중

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