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PDB Info pages Status search Chemie search: 5225 results BIRD

ZNJ

ZNJ
Name:	N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid
Formula:	C33 H41 F N8 O8 S
SMILES:	O=C(NC1CCNCC1)c1ccc(Nc2nc(Nc3cc(cc(NS(=O)(=O)C(C)(C)C)c3)C(=O)NC(CCC(=O)O)C(=O)O)c(C)cn2)cc1F
InChi:	InChI=1S/C33H41FN8O8S/c1-18-17-36-32(39-21-5-6-24(25(34)16-21)30(46)38-20-9-11-35-12-10-20)41-28(18)37-22-13-19(14-23(15-22)42-51(49,50)33(2,3)4)29(45)40-26(31(47)48)7-8-27(43)44/h5-6,13-17,20,26,35,42H,7-12H2,1-4H3,(H,38,46)(H,40,45)(H,43,44)(H,47,48)(H2,36,37,39,41)/t26-/m0/s1
Definition date:	2021-05-11
Last modified:	2022-05-06
Release date:	2022-05-11
Identifier:	N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid

J66

J66
Name:	2-oxidanylisoindole-1,3-dione
Formula:	C8 H5 N O3
SMILES:	ON1C(=O)c2ccccc2C1=O
InChi:	InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H
Definition date:	2021-04-13
Last modified:	2022-05-06
Release date:	2022-05-11
Identifier:	2-oxidanylisoindole-1,3-dione

ZHY

ZHY
Name:	4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
Formula:	C20 H20 N4 O4
SMILES:	NC(=O)c1ccc(cc1)c1cncc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChi:	InChI=1S/C20H20N4O4/c1-26-16-8-14(9-17(27-2)19(16)28-3)23-18-11-22-10-15(24-18)12-4-6-13(7-5-12)20(21)25/h4-11H,1-3H3,(H2,21,25)(H,23,24)
Definition date:	2021-04-29
Last modified:	2022-04-29
Release date:	2022-05-04
Identifier:	4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide

V88

V88
Name:	7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine
Formula:	C32 H47 N7 O2
SMILES:	COc1cc2c(NC3CCN(CC3)C(C)C)nc(NCCN(C)C)nc2cc1OCCCN4Cc5ccccc5C4
InChi:	InChI=1S/C32H47N7O2/c1-23(2)39-15-11-26(12-16-39)34-31-27-19-29(40-5)30(20-28(27)35-32(36-31)33-13-17-37(3)4)41-18-8-14-38-21-24-9-6-7-10-25(24)22-38/h6-7,9-10,19-20,23,26H,8,11-18,21-22H2,1-5H3,(H2,33,34,35,36)
Definition date:	2021-04-26
Last modified:	2022-04-29
Release date:	2022-05-04
Identifier:	7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-~{N}2-[2-(dimethylamino)ethyl]-6-methoxy-~{N}4-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine

MBU

MBU
Name:	(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
Formula:	C30 H31 F3 N6 O
SMILES:	FC(F)(F)c1nn(CC)cc1c1cc(Cn2ccnc2C)cc2C(=O)N(CCc21)C(c1cc(C)ccn1)C1CC1
InChi:	InChI=1S/C30H31F3N6O/c1-4-38-17-25(28(36-38)30(31,32)33)23-14-20(16-37-12-10-34-19(37)3)15-24-22(23)8-11-39(29(24)40)27(21-5-6-21)26-13-18(2)7-9-35-26/h7,9-10,12-15,17,21,27H,4-6,8,11,16H2,1-3H3/t27-/m0/s1
Definition date:	2022-03-15
Last modified:	2022-04-29
Release date:	2022-05-04
Identifier:	(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one

GII

GII
Name:	(2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C18 H28 N6 O6
SMILES:	[O-][N+](=O)c1cc(N=[N+]=[N-])ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO
InChi:	InChI=1S/C18H28N6O6/c19-22-21-12-5-6-13(14(9-12)24(29)30)20-7-3-1-2-4-8-23-10-16(26)18(28)17(27)15(23)11-25/h5-6,9,15-18,20,25-28H,1-4,7-8,10-11H2/t15-,16+,17-,18-/m1/s1
Definition date:	2021-12-24
Last modified:	2022-04-29
Release date:	2022-05-04
Identifier:	(2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

4N0

4N0
Name:	(4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide
Formula:	C16 H13 I N2 O2
SMILES:	Ic1ccc(NC(=O)[CH]2CC(=O)Nc3ccccc23)cc1
InChi:	InChI=1S/C16H13IN2O2/c17-10-5-7-11(8-6-10)18-16(21)13-9-15(20)19-14-4-2-1-3-12(13)14/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-/m1/s1
Definition date:	2021-07-06
Last modified:	2022-04-29
Release date:	2022-05-04
Identifier:	(4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide

M4U

M4U
Name:	(5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one
Formula:	C28 H28 F3 N5 O3
SMILES:	FC(F)(F)c1nn(C)cc1c1cc(Cn2ccnc2C)cc2C(=O)N(Cc3cc(OC)cc(OC)c3)CCc12
InChi:	InChI=1S/C28H28F3N5O3/c1-17-32-6-8-35(17)14-19-11-23(25-16-34(2)33-26(25)28(29,30)31)22-5-7-36(27(37)24(22)12-19)15-18-9-20(38-3)13-21(10-18)39-4/h6,8-13,16H,5,7,14-15H2,1-4H3
Definition date:	2022-03-14
Last modified:	2022-04-22
Release date:	2022-04-27
Identifier:	(5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one

47F

47F
Name:	N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]acetamide
Formula:	C17 H15 N3 O S
SMILES:	CC(=O)Nc1ccc(cc1)c1csc(Nc2ccccc2)n1
InChi:	InChI=1S/C17H15N3OS/c1-12(21)18-15-9-7-13(8-10-15)16-11-22-17(20-16)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,21)(H,19,20)
Definition date:	2021-07-08
Last modified:	2022-04-22
Release date:	2022-04-27
Identifier:	N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]acetamide

4B6

4B6
Name:	N-{4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide
Formula:	C17 H14 F N3 O S
SMILES:	CC(=O)Nc1ccc(cc1)c1csc(Nc2ccccc2F)n1
InChi:	InChI=1S/C17H14FN3OS/c1-11(22)19-13-8-6-12(7-9-13)16-10-23-17(21-16)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,19,22)(H,20,21)
Definition date:	2021-07-08
Last modified:	2022-04-22
Release date:	2022-04-27
Identifier:	N-{4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide

4CJ

4CJ
Name:	N-{4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide
Formula:	C17 H14 F N3 O S
SMILES:	CC(=O)Nc1ccc(cc1)c1csc(Nc2cc(F)ccc2)n1
InChi:	InChI=1S/C17H14FN3OS/c1-11(22)19-14-7-5-12(6-8-14)16-10-23-17(21-16)20-15-4-2-3-13(18)9-15/h2-10H,1H3,(H,19,22)(H,20,21)
Definition date:	2021-07-08
Last modified:	2022-04-22
Release date:	2022-04-27
Identifier:	N-{4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide

9I6

9I6
Name:	(2S,3R)-2-azanyl-N-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-N-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)phenyl]methyl]butanamide
Formula:	C32 H33 Br Cl N5 O4
SMILES:	C[CH](O)[CH](N)C(=O)N(CCCCCN1C=Nc2cc(Br)c(Cl)cc2C1=O)Cc3cccc(c3)c4ccc5C(=O)NCc5c4
InChi:	InChI=1S/C32H33BrClN5O4/c1-19(40)29(35)32(43)38(10-3-2-4-11-39-18-37-28-15-26(33)27(34)14-25(28)31(39)42)17-20-6-5-7-21(12-20)22-8-9-24-23(13-22)16-36-30(24)41/h5-9,12-15,18-19,29,40H,2-4,10-11,16-17,35H2,1H3,(H,36,41)/t19-,29+/m1/s1
Definition date:	2022-01-18
Last modified:	2022-04-22
Release date:	2022-04-27
Identifier:	(2~{S},3~{R})-2-azanyl-~{N}-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-~{N}-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)phenyl]methyl]butanamide

9I9

9I9
Name:	(2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide
Formula:	C30 H28 Cl2 F3 N5 O4
SMILES:	C[CH](O)[CH](N)C(=O)N[CH](CNC(=O)CCN1C=Nc2cc(Cl)c(Cl)cc2C1=O)c3cccc(c3)c4ccc(cc4)C(F)(F)F
InChi:	InChI=1S/C30H28Cl2F3N5O4/c1-16(41)27(36)28(43)39-25(19-4-2-3-18(11-19)17-5-7-20(8-6-17)30(33,34)35)14-37-26(42)9-10-40-15-38-24-13-23(32)22(31)12-21(24)29(40)44/h2-8,11-13,15-16,25,27,41H,9-10,14,36H2,1H3,(H,37,42)(H,39,43)/t16-,25+,27+/m1/s1
Definition date:	2022-01-18
Last modified:	2022-04-22
Release date:	2022-04-27
Identifier:	(2~{S},3~{R})-2-azanyl-~{N}-[(1~{R})-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide

9IC

9IC
Name:	(2S,3R)-2-azanyl-N-[(1R)-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-(3-phenylphenyl)ethyl]-3-oxidanyl-butanamide
Formula:	C29 H29 Br Cl N5 O4
SMILES:	C[CH](O)[CH](N)C(=O)N[CH](CNC(=O)CCN1C=Nc2cc(Br)c(Cl)cc2C1=O)c3cccc(c3)c4ccccc4
InChi:	InChI=1S/C29H29BrClN5O4/c1-17(37)27(32)28(39)35-25(20-9-5-8-19(12-20)18-6-3-2-4-7-18)15-33-26(38)10-11-36-16-34-24-14-22(30)23(31)13-21(24)29(36)40/h2-9,12-14,16-17,25,27,37H,10-11,15,32H2,1H3,(H,33,38)(H,35,39)/t17-,25+,27+/m1/s1
Definition date:	2022-01-18
Last modified:	2022-04-22
Release date:	2022-04-27
Identifier:	(2~{S},3~{R})-2-azanyl-~{N}-[(1~{R})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-(3-phenylphenyl)ethyl]-3-oxidanyl-butanamide

D4C

D4C
Name:	7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
Formula:	C17 H14 F N5
SMILES:	Nc1nc(N)c2c(ccc3n(Cc4ccccc4F)ccc23)n1
InChi:	InChI=1S/C17H14FN5/c18-12-4-2-1-3-10(12)9-23-8-7-11-14(23)6-5-13-15(11)16(19)22-17(20)21-13/h1-8H,9H2,(H4,19,20,21,22)
Definition date:	2019-06-21
Last modified:	2022-04-22
Release date:	2022-04-27
Identifier:	7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

4FK

4FK
Name:	N-{4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide
Formula:	C17 H14 F N3 O S
SMILES:	CC(=O)Nc1ccc(cc1)c1csc(Nc2ccc(F)cc2)n1
InChi:	InChI=1S/C17H14FN3OS/c1-11(22)19-14-6-2-12(3-7-14)16-10-23-17(21-16)20-15-8-4-13(18)5-9-15/h2-10H,1H3,(H,19,22)(H,20,21)
Definition date:	2021-07-08
Last modified:	2022-04-22
Release date:	2022-04-27
Identifier:	N-{4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide

4I2

4I2
Name:	N-(4-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}phenyl)acetamide
Formula:	C18 H14 F3 N3 O S
SMILES:	CC(=O)Nc1ccc(cc1)c1csc(Nc2cccc(c2)C(F)(F)F)n1
InChi:	InChI=1S/C18H14F3N3OS/c1-11(25)22-14-7-5-12(6-8-14)16-10-26-17(24-16)23-15-4-2-3-13(9-15)18(19,20)21/h2-10H,1H3,(H,22,25)(H,23,24)
Definition date:	2021-07-08
Last modified:	2022-04-22
Release date:	2022-04-27
Identifier:	N-(4-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}phenyl)acetamide

VLE

VLE
Name:	1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one
Formula:	C25 H25 Cl N6 O2
SMILES:	CCC(=O)N1CCN2[CH](CCOc3c(Cl)c(cc4ncnc2c34)c5c(C)ccc6n[nH]cc56)C1
InChi:	InChI=1S/C25H25ClN6O2/c1-3-20(33)31-7-8-32-15(12-31)6-9-34-24-22-19(27-13-28-25(22)32)10-16(23(24)26)21-14(2)4-5-18-17(21)11-29-30-18/h4-5,10-11,13,15H,3,6-9,12H2,1-2H3,(H,29,30)/t15-/m0/s1
Definition date:	2021-05-27
Last modified:	2022-04-15
Release date:	2022-04-20

ZEG

ZEG
Name:	4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
Formula:	C19 H17 F N2 O3 S2
SMILES:	O=S(=O)(N1CCOCC1)c1ccc(cc1)c1csc(n1)c1ccc(F)cc1
InChi:	InChI=1S/C19H17FN2O3S2/c20-16-5-1-15(2-6-16)19-21-18(13-26-19)14-3-7-17(8-4-14)27(23,24)22-9-11-25-12-10-22/h1-8,13H,9-12H2
Definition date:	2021-04-15
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine

V3H

V3H
Name:	(2R,4S)-2-[(1R)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid
Formula:	C23 H30 N3 O6 S
SMILES:	CCCCOC(=O)[CH](NC(=O)c1c(C)onc1c2ccccc2)[CH]3[NH2+][CH](C(O)=O)C(C)(C)S3
InChi:	InChI=1S/C23H29N3O6S/c1-5-6-12-31-22(30)17(20-25-18(21(28)29)23(3,4)33-20)24-19(27)15-13(2)32-26-16(15)14-10-8-7-9-11-14/h7-11,17-18,20,25H,5-6,12H2,1-4H3,(H,24,27)(H,28,29)/p+1/t17-,18-,20+/m0/s1
Synonyms:	Hydrolyzed Oxacillin
Definition date:	2021-04-09
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	(2~{R},4~{S})-2-[(1~{R})-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid

V0E

V0E
Name:	2-[4-[(2S)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile
Formula:	C19 H16 Cl N3 O3
SMILES:	O[CH](COc1ccc(CC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O
InChi:	InChI=1S/C19H16ClN3O3/c20-14-3-6-18-17(9-14)19(25)23(12-22-18)10-15(24)11-26-16-4-1-13(2-5-16)7-8-21/h1-6,9,12,15,24H,7,10-11H2/t15-/m0/s1
Synonyms:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile
Definition date:	2021-03-31
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile

V0H

V0H
Name:	2-[4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile
Formula:	C19 H16 Cl N3 O4
SMILES:	O[CH](COc1ccc(OCC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O
InChi:	InChI=1S/C19H16ClN3O4/c20-13-1-6-18-17(9-13)19(25)23(12-22-18)10-14(24)11-27-16-4-2-15(3-5-16)26-8-7-21/h1-6,9,12,14,24H,8,10-11H2/t14-/m0/s1
Synonyms:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile
Definition date:	2021-03-31
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile

9XR

9XR
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C22 H29 N7 O14 P2
SMILES:	NC(=O)c1cc(ccc1)NC1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChi:	InChI=1S/C22H29N7O14P2/c23-18-13-20(26-7-25-18)29(8-27-13)22-17(33)15(31)12(42-22)6-40-45(37,38)43-44(35,36)39-5-11-14(30)16(32)21(41-11)28-10-3-1-2-9(4-10)19(24)34/h1-4,7-8,11-12,14-17,21-22,28,30-33H,5-6H2,(H2,24,34)(H,35,36)(H,37,38)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,21+,22-/m1/s1
Definition date:	2021-11-01
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

5IW

5IW
Name:	(2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide
Formula:	C32 H40 N4 O5
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)C=Cc2ccccc2)C(=O)N[CH](C[CH]3CCCNC3=O)C=O
InChi:	InChI=1S/C32H40N4O5/c1-22(2)18-27(31(40)34-26(21-37)20-25-14-9-17-33-30(25)39)36-32(41)28(19-24-12-7-4-8-13-24)35-29(38)16-15-23-10-5-3-6-11-23/h3-8,10-13,15-16,21-22,25-28H,9,14,17-20H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)(H,36,41)/t25-,26-,27-,28-/m0/s1
Definition date:	2022-02-02
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2~{S})-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide

41Y

41Y
Name:	2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol
Formula:	C32 H41 F N2 O2
SMILES:	CC(C)c1ccc(cc1)C(C)N1CCc2c(ccc(OC)c2c2cc(F)c(O)c(NCC(C)C)c2)C1C
InChi:	InChI=1S/C32H41FN2O2/c1-19(2)18-34-29-17-25(16-28(33)32(29)36)31-27-14-15-35(22(6)26(27)12-13-30(31)37-7)21(5)24-10-8-23(9-11-24)20(3)4/h8-13,16-17,19-22,34,36H,14-15,18H2,1-7H3/t21-,22+/m0/s1
Definition date:	2021-07-07
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol

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