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U5T
U5T
表記:(4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
組成式:C16 H15 N3 O2
SMILES:Cn1cc(cn1)C=C2N=C(OC2=O)c3ccc(C)c(C)c3
InChi:InChI=1S/C16H15N3O2/c1-10-4-5-13(6-11(10)2)15-18-14(16(20)21-15)7-12-8-17-19(3)9-12/h4-9H,1-3H3/b14-7+
定義日:2021-01-22
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
U5W
U5W
表記:1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3
組成式:C28 H42 O3
SMILES:CC(C)(O)CCCC1(CC1)C2=CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C
InChi:InChI=1S/C28H42O3/c1-19-21(17-22(29)18-24(19)30)9-8-20-7-5-13-27(4)23(20)10-11-25(27)28(15-16-28)14-6-12-26(2,3)31/h8-9,11,22-24,29-31H,1,5-7,10,12-18H2,2-4H3/b20-8+,21-9-/t22-,23+,24+,27+/m1/s1
別名:(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[1-(4-methyl-4-oxidanyl-pentyl)cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
定義日:2021-01-22
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[1-(4-methyl-4-oxidanyl-pentyl)cyclopropyl]-3~{a},5,6,7-tetrahydro-3~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
U62
U62
表記:4~{H}-thieno[3,2-c]chromene-2-carboxylic acid
組成式:C12 H8 O3 S
SMILES:OC(=O)c1sc2c(COc3ccccc23)c1
InChi:InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)
定義日:2021-01-25
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:4~{H}-thieno[3,2-c]chromene-2-carboxylic acid
U65
U65
表記:methyl 3~{a},4-dihydro-3~{H}-thieno[3,2-c]chromene-2-carboxylate
組成式:C13 H10 O3 S
SMILES:COC(=O)c1sc2c(COc3ccccc23)c1
InChi:InChI=1S/C13H10O3S/c1-15-13(14)11-6-8-7-16-10-5-3-2-4-9(10)12(8)17-11/h2-6H,7H2,1H3
定義日:2021-01-25
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:methyl 4~{H}-thieno[3,2-c]chromene-2-carboxylate
U6K
U6K
表記:(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
組成式:C20 H23 N5 O4
SMILES:N[CH]1N=CN[CH]2[CH]1C=CN2[CH]3O[CH](COc4ccc5cccnc5c4)[CH](O)[CH]3O
InChi:InChI=1S/C20H23N5O4/c21-18-13-5-7-25(19(13)24-10-23-18)20-17(27)16(26)15(29-20)9-28-12-4-3-11-2-1-6-22-14(11)8-12/h1-8,10,13,15-20,26-27H,9,21H2,(H,23,24)/t13-,15+,16+,17+,18+,19-,20+/m0/s1
定義日:2021-01-25
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
U7T
U7T
表記:[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite
組成式:C12 H14 N5 O6 P
SMILES:O[CH]1C[CH](O[CH]1COP(O)O)N2C(=O)Nc3c4nccn4cnc23
InChi:InChI=1S/C12H14N5O6P/c18-6-3-8(23-7(6)4-22-24(20)21)17-11-9(15-12(17)19)10-13-1-2-16(10)5-14-11/h1-2,5-8,18,20-21H,3-4H2,(H,15,19)/t6-,7+,8+/m0/s1
別名:7,8-dihydro-8-oxo-1,N6-ethenoadenine
定義日:2021-01-28
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite
9OZ
9OZ
表記:N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide
組成式:C26 H29 N3 O2
SMILES:CC(c1cccc2ccccc21)N1CC2(CC(C2)C(=O)NCc2ccnc(OC)c2)C1
InChi:InChI=1S/C26H29N3O2/c1-18(22-9-5-7-20-6-3-4-8-23(20)22)29-16-26(17-29)13-21(14-26)25(30)28-15-19-10-11-27-24(12-19)31-2/h3-12,18,21H,13-17H2,1-2H3,(H,28,30)/t18-/m1/s1
定義日:2021-10-22
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide
A87
A87
表記:3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{H}-indol-6-ol
組成式:C23 H36 N2 O
SMILES:CCCCN(CCC1CCCCCC1)CCc2c[nH]c3cc(O)ccc23
InChi:InChI=1S/C23H36N2O/c1-2-3-14-25(15-12-19-8-6-4-5-7-9-19)16-13-20-18-24-23-17-21(26)10-11-22(20)23/h10-11,17-19,24,26H,2-9,12-16H2,1H3
定義日:2021-01-25
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{H}-indol-6-ol
CN9
CN9
表記:1-methyl-9H-pyrido[3,4-b]indole
組成式:C12 H10 N2
SMILES:Cc1nccc2c3ccccc3[NH]c21
InChi:InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
別名:harmane
定義日:2021-11-22
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:1-methyl-9H-pyrido[3,4-b]indole
9ID
9ID
表記:6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
組成式:C22 H23 N7 O2
SMILES:Cn1cc(Nc2ncc(nc2C(N)=O)C2=CCCC(NC(=O)c3ccccc3)C2)cn1
InChi:InChI=1S/C22H23N7O2/c1-29-13-17(11-25-29)26-21-19(20(23)30)28-18(12-24-21)15-8-5-9-16(10-15)27-22(31)14-6-3-2-4-7-14/h2-4,6-8,11-13,16H,5,9-10H2,1H3,(H2,23,30)(H,24,26)(H,27,31)/t16-/m1/s1
定義日:2021-10-15
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
39I
39I
表記:~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
組成式:C19 H18 N6 S
SMILES:C1CC1c2cc([nH]n2)Nc3nc(NCc4ccccc4)nc5ccsc35
InChi:InChI=1S/C19H18N6S/c1-2-4-12(5-3-1)11-20-19-21-14-8-9-26-17(14)18(23-19)22-16-10-15(24-25-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,20,21,22,23,24,25)
定義日:2021-06-24
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
G1S
G1S
表記:diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
組成式:C26 H33 N6 O7 P
SMILES:O=C(N1CCC1)c1ncc(nc1)Oc1cc(cc(OC(C)C)c1)C(=O)Nc1ccn(CP(=O)(OCC)OCC)n1
InChi:InChI=1S/C26H33N6O7P/c1-5-36-40(35,37-6-2)17-32-11-8-23(30-32)29-25(33)19-12-20(38-18(3)4)14-21(13-19)39-24-16-27-22(15-28-24)26(34)31-9-7-10-31/h8,11-16,18H,5-7,9-10,17H2,1-4H3,(H,29,30,33)
定義日:2021-12-15
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
IA4
IA4
表記:~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine
組成式:C20 H30 N2
SMILES:CN(CCC1CCCCCC1)CCc2c[nH]c3ccccc23
InChi:InChI=1S/C20H30N2/c1-22(14-12-17-8-4-2-3-5-9-17)15-13-18-16-21-20-11-7-6-10-19(18)20/h6-7,10-11,16-17,21H,2-5,8-9,12-15H2,1H3
定義日:2021-01-25
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine
0V9
0V9
表記:(19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate
組成式:C37 H72 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34,38H2,1-2H3,(H,41,42)/b16-14-/t35-/m1/s1
定義日:2012-07-05
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate
B5J
B5J
表記:methyltriphenylphosphonium
組成式:C19 H18 P
SMILES:C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChi:InChI=1S/C19H18P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/q+1
定義日:2021-11-12
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:methyl(triphenyl)phosphanium
F2D
F2D
表記:3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one
組成式:C19 H25 N O
SMILES:O=C1c2ccccc2NC(CC=CCCCCCC)=C1C
InChi:InChI=1S/C19H25NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h8-12,14H,3-7,13H2,1-2H3,(H,20,21)/b9-8+
定義日:2021-12-14
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one
I1W
I1W
表記:(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide
組成式:C33 H48 N6 O5 S
SMILES:CC(C)(C)N([2H])C(=O)N([2H])C(C(=O)N1CC2C(C1C(=O)N([2H])C(CC1CCN([2H])C1=O)C(O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C
InChi:InChI=1S/C33H48N6O5S/c1-31(2,3)25(37-30(44)38-32(4,5)6)29(43)39-16-18-22(33(18,7)8)23(39)27(42)35-20(15-17-13-14-34-26(17)41)24(40)28-36-19-11-9-10-12-21(19)45-28/h9-12,17-18,20,22-25,40H,13-16H2,1-8H3,(H,34,41)(H,35,42)(H2,37,38,44)/t17-,18-,20-,22-,23-,24-,25+/m0/s1/i/hD4
定義日:2022-01-06
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide
I1Z
I1Z
表記:(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C26 H44 N6 O4
SMILES:CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:InChI=1S/C26H44N6O4/c1-24(2,3)19(30-23(36)31-25(4,5)6)22(35)32-13-16-17(26(16,7)8)18(32)21(34)29-15(12-27)11-14-9-10-28-20(14)33/h12,14-19,27H,9-11,13H2,1-8H3,(H,28,33)(H,29,34)(H2,30,31,36)/b27-12-/t14-,15-,16-,17-,18-,19+/m0/s1
定義日:2022-01-06
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
NB2
NB2
表記:(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C33 H56 N6 O6 S
SMILES:CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C
InChi:InChI=1S/C33H56N6O6S/c1-30(2,3)25(37-29(43)38-33(13-10-9-11-14-33)19-46(44,45)31(4,5)6)28(42)39-18-22-23(32(22,7)8)24(39)27(41)36-21(17-34)16-20-12-15-35-26(20)40/h17,20-25,34H,9-16,18-19H2,1-8H3,(H,35,40)(H,36,41)(H2,37,38,43)/b34-17-/t20-,21-,22-,23-,24-,25+/m0/s1
定義日:2022-01-10
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
6JI
6JI
表記:5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
組成式:C24 H32 O4
SMILES:C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH](C[CH]5O[C]345)C6=COC(=O)C=C6
InChi:InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1
別名:Resibufogenin
定義日:2022-02-15
最終更新日:2022-02-25
公開日:2022-03-02
7U8
7U8
表記:methyl 4-[5,6-bis(chloranyl)-1H-indol-3-yl]-3-(5-chloranyl-1H-indol-3-yl)-1H-pyrrole-2-carboxylate
組成式:C22 H14 Cl3 N3 O2
SMILES:COC(=O)c1[nH]cc(c2c[nH]c3cc(Cl)c(Cl)cc23)c1c4c[nH]c5ccc(Cl)cc45
InChi:InChI=1S/C22H14Cl3N3O2/c1-30-22(29)21-20(14-8-26-18-3-2-10(23)4-11(14)18)15(9-28-21)13-7-27-19-6-17(25)16(24)5-12(13)19/h2-9,26-28H,1H3
別名:Lynamicin B
定義日:2021-10-26
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:methyl 4-[5,6-bis(chloranyl)-1~{H}-indol-3-yl]-3-(5-chloranyl-1~{H}-indol-3-yl)-1~{H}-pyrrole-2-carboxylate
7US
7US
表記:(3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate
組成式:C48 H67 N7 O13
SMILES:[O-][N+](=O)c1cnc(C)n1CCN1CCC2(CC1)NC=1C(=N2)c2c3C(=O)C4(C)Oc3c(C)c(O)c2C(=O)C=1NC(=O)C(C)CCCC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)CCO4
InChi:InChI=1S/C48H67N7O13/c1-23-12-11-13-24(2)46(62)50-38-37-36(51-48(52-37)15-17-53(18-16-48)19-20-54-29(7)49-22-32(54)55(63)64)33-34(42(38)60)41(59)28(6)44-35(33)45(61)47(9,68-44)66-21-14-31(65-10)25(3)43(67-30(8)56)27(5)40(58)26(4)39(23)57/h22-27,31,39-40,43,52,57-59H,11-21H2,1-10H3,(H,50,62)/t23-,24+,25+,26+,27+,31-,39-,40+,43+,47-/m0/s1
定義日:2021-08-20
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate
80X
80X
表記:N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide
組成式:C14 H16 Cl N3 O3
SMILES:CC(=O)N1CCNC(=O)[CH]1CC(=O)Nc2cccc(Cl)c2
InChi:InChI=1S/C14H16ClN3O3/c1-9(19)18-6-5-16-14(21)12(18)8-13(20)17-11-4-2-3-10(15)7-11/h2-4,7,12H,5-6,8H2,1H3,(H,16,21)(H,17,20)/t12-/m1/s1
定義日:2021-11-09
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:~{N}-(3-chlorophenyl)-2-[(2~{R})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide
83E
83E
表記:N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide
組成式:C49 H67 N5 O6
SMILES:O=C(CCC(CCc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C)N1C(=O)C=C(OC)C1Cc1ccc(cc1)c1ccccc1
InChi:InChI=1S/C49H67N5O6/c1-32(2)28-40(51-48(58)41(29-33(3)4)52-49(59)46(34(5)6)53(7)8)47(57)50-39(25-22-35-16-12-10-13-17-35)26-27-44(55)54-42(43(60-9)31-45(54)56)30-36-20-23-38(24-21-36)37-18-14-11-15-19-37/h10-21,23-24,31-34,39-42,46H,22,25-30H2,1-9H3,(H,50,57)(H,51,58)(H,52,59)/t39-,40-,41-,42-,46-/m0/s1
定義日:2021-09-03
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide
83K
83K
表記:N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide
組成式:C45 H64 N6 O6
SMILES:O=C(CCC(CCc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C)N1C(=O)C=C(OC)C1Cc1c[NH]c2ccccc12
InChi:InChI=1S/C45H64N6O6/c1-28(2)23-36(48-44(55)37(24-29(3)4)49-45(56)42(30(5)6)50(7)8)43(54)47-33(20-19-31-15-11-10-12-16-31)21-22-40(52)51-38(39(57-9)26-41(51)53)25-32-27-46-35-18-14-13-17-34(32)35/h10-18,26-30,33,36-38,42,46H,19-25H2,1-9H3,(H,47,54)(H,48,55)(H,49,56)/t33-,36-,37-,38-,42-/m0/s1
定義日:2021-09-03
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide

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