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0KN

0KN
Name:	(2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide
Formula:	C31 H43 N3 O6
SMILES:	O=C(NC(Cc2ccc1OCOc1c2)C(O)CNC4c3c(ncc(c3)CC(C)(C)C)OC5(C4)CCC5)C(OC)C
InChi:	InChI=1S/C31H43N3O6/c1-19(37-5)28(36)34-23(12-20-7-8-26-27(13-20)39-18-38-26)25(35)17-32-24-15-31(9-6-10-31)40-29-22(24)11-21(16-33-29)14-30(2,3)4/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t19-,23+,24+,25-/m1/s1
Synonyms:	(2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide
Definition date:	2012-02-03
Last modified:	2021-03-13
Identifier:	(2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide

N6R

N6R
Name:	(2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate
Formula:	C19 H22 N5 O6 P
SMILES:	O=P4(OCC5OC(n2c3ncnc(NC(C)Cc1ccccc1)c3nc2)C(O)C5O4)O
InChi:	InChI=1S/C19H22N5O6P/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-15(25)16-13(29-19)8-28-31(26,27)30-16/h2-6,9-11,13,15-16,19,25H,7-8H2,1H3,(H,26,27)(H,20,21,23)/t11-,13+,15-,16+,19-/m1/s1
Synonyms:	(2R,4aS,6R,7R,7aR)-6-(6-{[(1R)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
Definition date:	2009-07-08
Last modified:	2021-03-13
Identifier:	(2R,4aS,6R,7R,7aR)-6-(6-{[(1R)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide

871

871
Name:	2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile
Formula:	C20 H20 N2 O2
SMILES:	c13ccccc1CN(C(c2cc(C(C)C)c(CC#N)cc2O)=O)C3
InChi:	InChI=1S/C20H20N2O2/c1-13(2)17-10-18(19(23)9-14(17)7-8-21)20(24)22-11-15-5-3-4-6-16(15)12-22/h3-6,9-10,13,23H,7,11-12H2,1-2H3
Synonyms:	[4-(1,3-dihydro-2H-isoindole-2-carbonyl)-5-hydroxy-2-(propan-2-yl)phenyl]acetonitrile
Definition date:	2017-01-10
Last modified:	2021-03-13
Release date:	2018-01-10
Identifier:	[4-(1,3-dihydro-2H-isoindole-2-carbonyl)-5-hydroxy-2-(propan-2-yl)phenyl]acetonitrile

874

874
Name:	(2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone
Formula:	C19 H21 N O4
SMILES:	C1N(Cc2c1cccc2)C(c3cc(c(c(c3O)CO)O)C(C)C)=O
InChi:	InChI=1S/C19H21NO4/c1-11(2)14-7-15(18(23)16(10-21)17(14)22)19(24)20-8-12-5-3-4-6-13(12)9-20/h3-7,11,21-23H,8-10H2,1-2H3
Synonyms:	(1,3-dihydro-2H-isoindol-2-yl)[2,4-dihydroxy-3-(hydroxymethyl)-5-(propan-2-yl)phenyl]methanone
Definition date:	2017-01-10
Last modified:	2021-03-13
Release date:	2018-01-03
Identifier:	(1,3-dihydro-2H-isoindol-2-yl)[2,4-dihydroxy-3-(hydroxymethyl)-5-(propan-2-yl)phenyl]methanone

88W

88W
Name:	N~3~-(ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide
Formula:	C14 H18 N4 O2 S
SMILES:	O=C(NCC)NCCC(=O)Nc1ccc2nc(sc2c1)C
InChi:	InChI=1S/C14H18N4O2S/c1-3-15-14(20)16-7-6-13(19)18-10-4-5-11-12(8-10)21-9(2)17-11/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H2,15,16,20)
Synonyms:	3-(ETHYLCARBAMOYLAMINO)-N-(2-METHYL-1,3-BENZOTHIAZOL-6-
Definition date:	2012-02-16
Last modified:	2021-03-13
Identifier:	N~3~-(ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide

0QS

0QS
Name:	N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Formula:	C36 H56 F2 N7 O8 S
SMILES:	O=S(=O)(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NCCN2CCOCC2)Cc3[nH+]cnc3)Cc4ccccc4)C(C)(C)C
InChi:	InChI=1S/C36H55F2N7O8S/c1-34(2,3)54(51,52)44-29(20-25-10-6-4-7-11-25)32(47)42-28(22-27-23-39-24-41-27)31(46)43-30(21-26-12-8-5-9-13-26)36(49,50)35(37,38)33(48)40-14-15-45-16-18-53-19-17-45/h4,6-7,10-11,23-24,26,28-30,44,49-50H,5,8-9,12-22H2,1-3H3,(H,39,41)(H,40,48)(H,42,47)(H,43,46)/p+1/t28-,29-,30-/m0/s1
Synonyms:	PD-135,040
Definition date:	2008-09-14
Last modified:	2021-03-13
Identifier:	N-(tert-butylsulfonyl)-L-phenylalanyl-N-[(2S)-1-cyclohexyl-4,4-difluoro-3,3-dihydroxy-5-{[2-(morpholin-4-yl)ethyl]amino}-5-oxopentan-2-yl]-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide

8A0

8A0
Name:	(4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile
Formula:	C25 H23 F3 N4 O
SMILES:	CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3C)C(=C(N)Oc4n[nH]c(C)c14)C#N
InChi:	InChI=1S/C25H23F3N4O/c1-13(2)24(20(12-29)22(30)33-23-21(24)15(4)31-32-23)17-9-16(10-18(11-17)25(26,27)28)19-8-6-5-7-14(19)3/h5-11,13H,30H2,1-4H3,(H,31,32)/t24-/m0/s1
Synonyms:	(s)-6-amino-4-isopropyl-3 methyl-4-(2'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Definition date:	2017-05-25
Last modified:	2021-03-13
Release date:	2017-11-29
Identifier:	(4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile

8A3

8A3
Name:	4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide
Formula:	C27 H25 F6 N5 O3 S
SMILES:	CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)N(C)CC(F)(F)F)C(=C(N)Oc4n[nH]c(C)c14)C#N
InChi:	InChI=1S/C27H25F6N5O3S/c1-14(2)26(21(12-34)23(35)41-24-22(26)15(3)36-37-24)18-9-17(10-19(11-18)27(31,32)33)16-5-7-20(8-6-16)42(39,40)38(4)13-25(28,29)30/h5-11,14H,13,35H2,1-4H3,(H,36,37)/t26-/m0/s1
Synonyms:	(s)-3'-(6-amino-5-cyano-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)-5'-(trifluoromethyl)-[1,1'-biphenyl]-4-sulfonamide
Definition date:	2017-05-25
Last modified:	2021-03-13
Release date:	2017-11-29
Identifier:	4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide

8A6

8A6
Name:	4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide
Formula:	C32 H30 F3 N5 O3 S
SMILES:	CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)N(C)Cc4ccccc4)C(=C(N)Oc5n[nH]c(C)c15)C#N
InChi:	InChI=1S/C32H30F3N5O3S/c1-19(2)31(27(17-36)29(37)43-30-28(31)20(3)38-39-30)24-14-23(15-25(16-24)32(33,34)35)22-10-12-26(13-11-22)44(41,42)40(4)18-21-8-6-5-7-9-21/h5-16,19H,18,37H2,1-4H3,(H,38,39)/t31-/m0/s1
Synonyms:	4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide
Definition date:	2017-05-25
Last modified:	2021-03-13
Release date:	2017-11-29
Identifier:	4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide

8B0

8B0
Name:	(4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile
Formula:	C25 H20 F3 N5 O
SMILES:	CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3C#N)C(=C(N)Oc4n[nH]c(C)c14)C#N
InChi:	InChI=1S/C25H20F3N5O/c1-13(2)24(20(12-30)22(31)34-23-21(24)14(3)32-33-23)17-8-16(9-18(10-17)25(26,27)28)19-7-5-4-6-15(19)11-29/h4-10,13H,31H2,1-3H3,(H,32,33)/t24-/m0/s1
Synonyms:	(s)-6-amino-4-(2'-cyano-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Definition date:	2017-05-25
Last modified:	2021-03-13
Release date:	2017-11-29
Identifier:	(4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile

SNE

SNE
Name:	Sabinene
Formula:	C10 H16
SMILES:	C=C1/CCC2(C(C)C)CC12
InChi:	InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1
Synonyms:	(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane
Definition date:	2014-11-06
Last modified:	2021-03-13
Release date:	2015-01-28
Identifier:	(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane

SNS

SNS
Name:	3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine
Formula:	C27 H31 F2 N5 O2
SMILES:	O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5
InChi:	InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m0/s1
Synonyms:	N,N'-acridine-3,6-diylbis{3-[(3S)-3-fluoropyrrolidin-1-yl]propanamide}
Definition date:	2010-07-27
Last modified:	2021-03-13
Identifier:	N,N'-acridine-3,6-diylbis{3-[(3S)-3-fluoropyrrolidin-1-yl]propanamide}

NCE

NCE
Name:	3,6-Bis[(3-morpholinopropionamido)] acridine
Formula:	C27 H33 N5 O4
SMILES:	O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCOCC4)CCN5CCOCC5
InChi:	InChI=1S/C27H33N5O4/c33-26(5-7-31-9-13-35-14-10-31)28-22-3-1-20-17-21-2-4-23(19-25(21)30-24(20)18-22)29-27(34)6-8-32-11-15-36-16-12-32/h1-4,17-19H,5-16H2,(H,28,33)(H,29,34)
Synonyms:	N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)
Definition date:	2008-09-26
Last modified:	2021-03-13
Identifier:	N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)

2V7

2V7
Name:	(1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
Formula:	C14 H16 O3
SMILES:	OC(C)C(O)c1ccc2c(c1)ccc(OC)c2
InChi:	InChI=1S/C14H16O3/c1-9(15)14(16)12-4-3-11-8-13(17-2)6-5-10(11)7-12/h3-9,14-16H,1-2H3/t9-,14+/m0/s1
Synonyms:	(6-methoxynaphthalen-2-yl)(oxiran-2-yl)methanol, bound form
Definition date:	2014-02-20
Last modified:	2021-03-13
Release date:	2014-03-05
Identifier:	(1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol

L2D

L2D
Name:	{2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron
Formula:	C22 H26 Fe N4 O4
SMILES:	O=C6O[Fe]2587OC(=O)CN8(Cc1n2cccc1)C3CCCCC3N7(Cc4ccccn45)C6
InChi:	InChI=1S/C22H28N4O4.Fe/c27-21(28)15-25(13-17-7-3-5-11-23-17)19-9-1-2-10-20(19)26(16-22(29)30)14-18-8-4-6-12-24-18
Synonyms:	Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine
Definition date:	2012-02-16
Last modified:	2021-03-13
Identifier:	{2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron (non-preferred name)

2XJ

2XJ
Name:	1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol
Formula:	C22 H29 N5 O3 S2
SMILES:	n1c(c(sc1c2cc(OCC(O)(C)C)c(OC)cc2)CCC)CSc3nc(nc(N)c3)N
InChi:	InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-19-10-18(23)26-21(24)27-19)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)
Synonyms:	1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol
Definition date:	2014-04-08
Last modified:	2021-03-13
Release date:	2014-11-05
Identifier:	1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol

L2P

L2P
Name:	2,3-DI-PHYTANYL-GLYCEROL
Formula:	C43 H88 O3
SMILES:	OCC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChi:	InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1
Synonyms:	1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL
Definition date:	1999-09-22
Last modified:	2021-03-13
Identifier:	(2R)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol

2Z3

2Z3
Name:	N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide
Formula:	C32 H49 F2 N5 O7
SMILES:	O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3
InChi:	InChI=1S/C32H49F2N5O7/c1-3-4-15-24(27(40)38-26(21-23-13-9-6-10-14-23)32(44,45)31(33,34)29(42)35-2)36-28(41)25(20-22-11-7-5-8-12-22)37-30(43)39-16-18-46-19-17-39/h5,7-8,11-12,23-26,44-45H,3-4,6,9-10,13-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,43)(H,38,40)/t24-,25-,26-/m0/s1
Synonyms:	CP-81,282
Definition date:	2008-08-28
Last modified:	2021-03-13
Identifier:	N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide

2ZS

2ZS
Name:	N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide
Formula:	C31 H48 N4 O7 S
SMILES:	O=C(NC(C(=O)NC(C(=O)NC(C(O)C(=O)OC(C)C)CC1CCCCC1)CSC)Cc2ccccc2)N3CCOCC3
InChi:	InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1
Synonyms:	CP-80,794
Definition date:	2008-09-08
Last modified:	2021-03-13
Identifier:	N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide

L4D

L4D
Name:	{(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+)
Formula:	C17 H21 Fe N4 O2
SMILES:	O=C5O[Fe+2]346n1ccccc1CN6(CCN4(Cc2ccccn23)C)C5
InChi:	InChI=1S/C17H22N4O2.Fe/c1-20(12-15-6-2-4-8-18-15)10-11-21(14-17(22)23)13-16-7-3-5-9-19-16
Synonyms:	{N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl}iron(2+)
Definition date:	2012-12-13
Last modified:	2021-03-13
Release date:	2013-04-17
Identifier:	{(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+)

303

303
Name:	6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE
Formula:	C24 H26 N4 O
SMILES:	O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc3ccc4c(c3)C(NCC4)C(C)C
InChi:	InChI=1S/C24H26N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14,22,27H,9-10H2,1-2H3,(H3,25,26)(H,28,29)/t22-/m0/s1
Synonyms:	6-[N-(1-ISOPROPYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE
Definition date:	2003-04-09
Last modified:	2021-03-13
Identifier:	6-carbamimidoyl-N-[(1S)-1-(1-methylethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]naphthalene-2-carboxamide

LA1

LA1
Name:	(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE
Formula:	C33 H36 N4 O3
SMILES:	O=C(NC)C(N1C(=O)C(N(C(=O)CC1)Cc2cc3ccccc3nc2)CC(C)C)Cc5cc4ccccc4cc5
InChi:	InChI=1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30-/m0/s1
Synonyms:	(S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE
Definition date:	2004-11-01
Last modified:	2021-03-13
Identifier:	(2S)-N-methyl-2-[(3S)-3-(2-methylpropyl)-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-3-naphthalen-2-ylpropanamide

17F

17F
Name:	O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine
Formula:	C42 H78 N O10 P
SMILES:	O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCCCC
InChi:	InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1
Synonyms:	1,2-Dioleoyl-sn-glycero-3-phospho-L-serine
Definition date:	2013-03-20
Last modified:	2021-03-13
Release date:	2013-06-26
Identifier:	O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine

18A

18A
Name:	N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide
Formula:	C19 H21 N O2
SMILES:	O=C(Nc1ccc(cc1)C=Cc2cc(c(O)c(c2)C)C)CC
InChi:	InChI=1S/C19H21NO2/c1-4-18(21)20-17-9-7-15(8-10-17)5-6-16-11-13(2)19(22)14(3)12-16/h5-12,22H,4H2,1-3H3,(H,20,21)/b6-5+
Synonyms:	(E)-N-(4-(4-hydroxy-3,5-dimethylstyryl)phenyl)propionamide, bound form
Definition date:	2012-11-01
Last modified:	2021-03-13
Release date:	2013-12-04
Identifier:	N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide

BAE

BAE
Name:	N-methyltrimethylacetamide
Formula:	C6 H13 N O
SMILES:	O=C(NC)C(C)(C)C
InChi:	InChI=1S/C6H13NO/c1-6(2,3)5(8)7-4/h1-4H3,(H,7,8)
Synonyms:	N,2,2-trimethylpropanamide
Definition date:	2013-01-10
Last modified:	2021-03-13
Release date:	2013-10-02
Identifier:	N,2,2-trimethylpropanamide

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