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PDB ウェブページステータス検索化合物検索: 7222 件 BIRD

49Q

49Q
表記:	3-[4-(benzyloxy)phenyl]propan-1-ol
組成式:	C16 H18 O2
SMILES:	O(c1ccc(cc1)CCCO)Cc2ccccc2
InChi:	InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2
定義日:	2015-02-18
最終更新日:	2015-05-01
公開日:	2015-05-06
識別子（ID）:	3-[4-(benzyloxy)phenyl]propan-1-ol

4F2

4F2
表記:	1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea
組成式:	C22 H32 N6 O2
SMILES:	C1CC(CCC1Nc4nc3c(C=CC(=O)N3C2CCCC2)cn4)NC(NC(C)C)=O
InChi:	InChI=1S/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)/t16-,17-
定義日:	2015-03-13
最終更新日:	2015-05-01
公開日:	2015-05-06
識別子（ID）:	1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea

519

519
表記:	1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea
組成式:	C20 H30 N6 O2
SMILES:	CC(C)NC(=O)NC1CCC(CC1)Nc2nc3c(cn2)C=CC(=O)N3C(C)C
InChi:	InChI=1S/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28)/t15-,16-
定義日:	2015-03-13
最終更新日:	2015-05-01
公開日:	2015-05-06
識別子（ID）:	1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea

4JY

4JY
表記:	4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide
組成式:	C28 H30 F N5 O2
SMILES:	CCOc1cc(OC(C)C)c(F)c(c1)[CH](Nc2ccc(cc2)C(N)=N)c3[nH]cc(n3)c4ccccc4
InChi:	InChI=1S/C28H30FN5O2/c1-4-35-21-14-22(25(29)24(15-21)36-17(2)3)26(33-20-12-10-19(11-13-20)27(30)31)28-32-16-23(34-28)18-8-6-5-7-9-18/h5-17,26,33H,4H2,1-3H3,(H3,30,31)(H,32,34)/t26-/m1/s1
定義日:	2015-03-24
最終更新日:	2015-04-24
公開日:	2015-04-29
識別子（ID）:	4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide

4K1

4K1
表記:	2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide
組成式:	C29 H31 F N6 O3
SMILES:	CCOc1cc(OC(C)C)c(F)c(c1)[CH](Nc2ccc(cc2)C(N)=N)c3[nH]cc(n3)c4ccccc4C(N)=O
InChi:	InChI=1S/C29H31FN6O3/c1-4-38-19-13-22(25(30)24(14-19)39-16(2)3)26(35-18-11-9-17(10-12-18)27(31)32)29-34-15-23(36-29)20-7-5-6-8-21(20)28(33)37/h5-16,26,35H,4H2,1-3H3,(H3,31,32)(H2,33,37)(H,34,36)/t26-/m1/s1
定義日:	2015-03-24
最終更新日:	2015-04-24
公開日:	2015-04-29
識別子（ID）:	2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide

ZBD

ZBD
表記:	4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide
組成式:	C25 H29 F6 N3 O5 S
SMILES:	N2(c1ccccc1N(S2(=O)=O)CCCC(N(C(C)CCO)C)=O)Cc3ccc(cc3)C(C(F)(F)F)(O)C(F)(F)F
InChi:	InChI=1S/C25H29F6N3O5S/c1-17(13-15-35)32(2)22(36)8-5-14-33-20-6-3-4-7-21(20)34(40(33,38)39)16-18-9-11-19(12-10-18)23(37,24(26,27)28)25(29,30)31/h3-4,6-7,9-12,17,35,37H,5,8,13-16H2,1-2H3/t17-/m1/s1
定義日:	2015-03-09
最終更新日:	2015-04-17
公開日:	2015-04-22
識別子（ID）:	4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide

40E

40E
表記:	oxo(propan-2-ylamino)acetic acid
組成式:	C5 H9 N O3
SMILES:	O=C(NC(C)C)C(=O)O
InChi:	InChI=1S/C5H9NO3/c1-3(2)6-4(7)5(8)9/h3H,1-2H3,(H,6,7)(H,8,9)
定義日:	2014-12-22
最終更新日:	2015-04-17
公開日:	2015-04-22
識別子（ID）:	oxo(propan-2-ylamino)acetic acid

3LB

3LB
表記:	(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
組成式:	C27 H34 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C=1N=CC(O)C(=O)C=1)S(=O)(=O)NC(=O)NC(CC=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C27H34N10O13S3/c1-5-7-14(16(12-38)30-22(41)20(17-13-51-24(28)31-17)34-50-27(2,3)23(42)43)32-25(44)35-53(48,49)37-26(45)36(8-6-9-52(4,46)47)21(33-37)15-10-18(39)19(40)11-29-15/h5,10-14,16,19,40H,1,6-9H2,2-4H3,(H2,28,31)(H,30,41)(H,42,43)(H2,32,35,44)/b34-20-/t14-,16-,19-/m1/s1
定義日:	2014-09-12
最終更新日:	2015-04-17
公開日:	2015-04-22
識別子（ID）:	(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

3LC

3LC
表記:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
組成式:	C26 H32 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C26H32N10O13S3/c1-5-13(15(11-37)29-21(40)19(16-12-50-23(27)30-16)33-49-26(2,3)22(41)42)31-24(43)34-52(47,48)36-25(44)35(7-6-8-51(4,45)46)20(32-36)14-9-17(38)18(39)10-28-14/h5,10-13,15,39H,1,6-9H2,2-4H3,(H2,27,30)(H,29,40)(H,41,42)(H2,31,34,43)/b33-19-/t13-,15+/m0/s1
定義日:	2014-09-12
最終更新日:	2015-04-17
公開日:	2015-04-22
識別子（ID）:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

3LE

3LE
表記:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
組成式:	C25 H32 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C25H32N10O13S3/c1-12(14(10-36)29-20(39)18(15-11-49-22(26)30-15)32-48-25(2,3)21(40)41)28-23(42)33-51(46,47)35-24(43)34(6-5-7-50(4,44)45)19(31-35)13-8-16(37)17(38)9-27-13/h9-12,14,38H,5-8H2,1-4H3,(H2,26,30)(H,29,39)(H,40,41)(H2,28,33,42)/b32-18-/t12-,14+/m0/s1
定義日:	2014-09-12
最終更新日:	2015-04-17
公開日:	2015-04-22
識別子（ID）:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

8R2

8R2
表記:	(2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide
組成式:	C18 H17 N5 O3
SMILES:	O=C(Nc3ccc(Oc1cc2c(cc1)nc(c2C#N)N)cc3)C(N)CO
InChi:	InChI=1S/C18H17N5O3/c19-8-14-13-7-12(5-6-16(13)23-17(14)21)26-11-3-1-10(2-4-11)22-18(25)15(20)9-24/h1-7,15,23-24H,9,20-21H2,(H,22,25)/t15-/m0/s1
定義日:	2015-02-27
最終更新日:	2015-04-17
公開日:	2015-04-22
識別子（ID）:	N-{4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl}-L-serinamide

A3V

A3V
表記:	(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
組成式:	C16 H25 N O2
SMILES:	O(c1cc(ccc1)C(O)CCN)CC2CCCCC2
InChi:	InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2/t16-/m1/s1
定義日:	2014-11-12
最終更新日:	2015-04-10
公開日:	2015-04-15
識別子（ID）:	(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol

A6V

A6V
表記:	(1R)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol
組成式:	C19 H29 N O2
SMILES:	OC(c2cc(OCC1=C(C)CCCC1(C)C)ccc2)CCN
InChi:	InChI=1S/C19H29NO2/c1-14-6-5-10-19(2,3)17(14)13-22-16-8-4-7-15(12-16)18(21)9-11-20/h4,7-8,12,18,21H,5-6,9-11,13,20H2,1-3H3/t18-/m1/s1
定義日:	2014-11-12
最終更新日:	2015-04-10
公開日:	2015-04-15
識別子（ID）:	(1R)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol

HRX

HRX
表記:	[1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)
組成式:	C8 H13 N O7 P2
SMILES:	O=P(O)(O)C(O)(CCc1cccnc1)P(=O)(O)O
InChi:	InChI=1S/C8H13NO7P2/c10-8(17(11,12)13,18(14,15)16)4-3-7-2-1-5-9-6-7/h1-2,5-6,10H,3-4H2,(H2,11,12,13)(H2,14,15,16)
定義日:	2014-12-10
最終更新日:	2015-04-10
公開日:	2015-04-15
識別子（ID）:	[1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)

JD1

JD1
表記:	[({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)
組成式:	C15 H20 N2 O7 P2
SMILES:	O=P(O)(O)C(Nc1cc(cnc1)c2ccc(OC(C)C)cc2)P(=O)(O)O
InChi:	InChI=1S/C15H20N2O7P2/c1-10(2)24-14-5-3-11(4-6-14)12-7-13(9-16-8-12)17-15(25(18,19)20)26(21,22)23/h3-10,15,17H,1-2H3,(H2,18,19,20)(H2,21,22,23)
定義日:	2014-03-31
最終更新日:	2015-04-10
公開日:	2015-04-15
識別子（ID）:	[({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)

S74

S74
表記:	3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid
組成式:	C30 H32 N2 O4
SMILES:	O=C(NC3C(c1ccccc1)C3c2ccccc2)N5CCC(Oc4ccc(cc4)CCC(=O)O)CC5
InChi:	InChI=1S/C30H32N2O4/c33-26(34)16-13-21-11-14-24(15-12-21)36-25-17-19-32(20-18-25)30(35)31-29-27(22-7-3-1-4-8-22)28(29)23-9-5-2-6-10-23/h1-12,14-15,25,27-29H,13,16-20H2,(H,31,35)(H,33,34)/t27-,28+,29+
定義日:	2014-12-12
最終更新日:	2015-04-03
公開日:	2015-04-08
識別子（ID）:	3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid

2W8

2W8
表記:	3-(3'-nitrobiphenyl-3-yl)propanoic acid
組成式:	C15 H13 N O4
SMILES:	O=[N+]([O-])c2cc(c1cccc(c1)CCC(=O)O)ccc2
InChi:	InChI=1S/C15H13NO4/c17-15(18)8-7-11-3-1-4-12(9-11)13-5-2-6-14(10-13)16(19)20/h1-6,9-10H,7-8H2,(H,17,18)
定義日:	2014-03-07
最終更新日:	2015-04-03
公開日:	2015-04-08
識別子（ID）:	3-(3'-nitrobiphenyl-3-yl)propanoic acid

2W9

2W9
表記:	3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid
組成式:	C13 H11 N O5
SMILES:	O=[N+]([O-])c2oc(c1cc(ccc1)CCC(=O)O)cc2
InChi:	InChI=1S/C13H11NO5/c15-13(16)7-4-9-2-1-3-10(8-9)11-5-6-12(19-11)14(17)18/h1-3,5-6,8H,4,7H2,(H,15,16)
定義日:	2014-03-10
最終更新日:	2015-04-03
公開日:	2015-04-08
識別子（ID）:	3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid

2WF

2WF
表記:	N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide
組成式:	C18 H15 N3 O
SMILES:	O=C(Nc1nccc(c1)c3cc2cnccc2cc3)C4CC4
InChi:	InChI=1S/C18H15N3O/c22-18(13-2-3-13)21-17-10-15(6-8-20-17)14-4-1-12-5-7-19-11-16(12)9-14/h1,4-11,13H,2-3H2,(H,20,21,22)
定義日:	2014-03-11
最終更新日:	2015-04-03
公開日:	2015-04-08
識別子（ID）:	N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide

L6G

L6G
表記:	(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione
組成式:	C21 H29 N5 O3 S3
SMILES:	O=C2NCc1scc(n1)C3=NC(C(=O)NC(C(=O)NC(/C=C/CCS)C2)C(C)C)(C)CS3
InChi:	InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1
定義日:	2015-01-20
最終更新日:	2015-04-03
公開日:	2015-04-08
識別子（ID）:	(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione

L7G

L7G
表記:	(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione
組成式:	C23 H31 N5 O3 S2
SMILES:	O=C2NCc1nccc(c1)C3=NC(C(=O)NC(C(=O)NC(/C=C/CCS)C2)C(C)C)(C)CS3
InChi:	InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-16(6-4-5-9-32)11-18(29)25-12-17-10-15(7-8-24-17)21-28-23(3,13-33-21)22(31)27-19/h4,6-8,10,14,16,19,32H,5,9,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/b6-4+/t16-,19+,23+/m1/s1
定義日:	2014-10-23
最終更新日:	2015-04-03
公開日:	2015-04-08
識別子（ID）:	(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione

L8G

L8G
表記:	(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione
組成式:	C23 H31 N5 O3 S2
SMILES:	O=C1NC(C(=O)NC(/C=C/CCS)CC(=O)NCc3nc(C2=NC1(C)CS2)ccc3)C(C)C
InChi:	InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-15(7-4-5-10-32)11-18(29)24-12-16-8-6-9-17(25-16)21-28-23(3,13-33-21)22(31)27-19/h4,6-9,14-15,19,32H,5,10-13H2,1-3H3,(H,24,29)(H,26,30)(H,27,31)/b7-4+/t15-,19+,23+/m1/s1
定義日:	2014-10-23
最終更新日:	2015-04-03
公開日:	2015-04-08
識別子（ID）:	(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione

EPK

EPK
表記:	3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one
組成式:	C16 H18 N4 O S
SMILES:	O=C1c2scc(c2N=C(N1CC)NC(C)C)c3cccnc3
InChi:	InChI=1S/C16H18N4OS/c1-4-20-15(21)14-13(19-16(20)18-10(2)3)12(9-22-14)11-6-5-7-17-8-11/h5-10H,4H2,1-3H3,(H,18,19)
定義日:	2015-02-19
最終更新日:	2015-04-03
公開日:	2015-04-08
識別子（ID）:	3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one

NGI

NGI
表記:	2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE
組成式:	C23 H29 N7 O6
SMILES:	CCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(NCCc4ccc(CCC(O)=O)cc4)nc23
InChi:	InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
定義日:	2015-03-23
最終更新日:	2015-04-03
公開日:	2015-04-08
識別子（ID）:	3-[4-[2-[[6-azanyl-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid

EEF

EEF
表記:	N-(3-biphenyl-4-ylpropanoyl)-L-alpha-glutamyl-L-alpha-glutamyl-amide
組成式:	C25 H29 N3 O7
SMILES:	C(C(NC(CCC(O)=O)C(=O)NC(CCC(O)=O)C(N)=O)=O)Cc2ccc(c1ccccc1)cc2
InChi:	InChI=1S/C25H29N3O7/c26-24(34)19(11-14-22(30)31)28-25(35)20(12-15-23(32)33)27-21(29)13-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-7,9-10,19-20H,8,11-15H2,(H2,26,34)(H,27,29)(H,28,35)(H,30,31)(H,32,33)/t19-,20-/m0/s1
定義日:	2010-08-13
最終更新日:	2015-04-02
識別子（ID）:	N-[3-(biphenyl-4-yl)propanoyl]-L-alpha-glutamyl-L-alpha-glutamine

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