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3M6

3M6
Name:	(2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid
Formula:	C30 H30 F4 N4 O7 S
SMILES:	FC(F)(F)c1ccc(cc1)NC(=O)N(C)CC4Oc3c(NS(=O)(=O)c2ccc(F)cc2)cccc3C(=O)N(CC4C)C(C(=O)O)C
InChi:	InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)23-5-4-6-24(36-46(43,44)22-13-9-20(31)10-14-22)26(23)45-25(17)16-37(3)29(42)35-21-11-7-19(8-12-21)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/m1/s1
Definition date:	2014-09-19
Last modified:	2014-11-14
Release date:	2014-11-19
Identifier:	(2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid

2ZL

2ZL
Name:	N~2~-benzyl-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide
Formula:	C17 H19 F N2 O4 S
SMILES:	Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C)Cc2ccccc2)C
InChi:	InChI=1S/C17H19FN2O4S/c1-12-10-15(8-9-16(12)18)25(23,24)20(13(2)17(21)19-22)11-14-6-4-3-5-7-14/h3-10,13,22H,11H2,1-2H3,(H,19,21)/t13-/m1/s1
Definition date:	2014-05-15
Last modified:	2014-11-07
Release date:	2014-11-12
Identifier:	N~2~-benzyl-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide

30H

30H
Name:	N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(pyridin-3-ylmethyl)-D-alaninamide
Formula:	C16 H18 F N3 O4 S
SMILES:	Fc1c(cc(cc1)S(=O)(=O)N(Cc2cccnc2)C(C(=O)NO)C)C
InChi:	InChI=1S/C16H18FN3O4S/c1-11-8-14(5-6-15(11)17)25(23,24)20(12(2)16(21)19-22)10-13-4-3-7-18-9-13/h3-9,12,22H,10H2,1-2H3,(H,19,21)/t12-/m1/s1
Definition date:	2014-05-15
Last modified:	2014-11-07
Release date:	2014-11-12
Identifier:	N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(pyridin-3-ylmethyl)-D-alaninamide

30O

30O
Name:	N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(4-nitrobenzyl)-D-alaninamide
Formula:	C17 H18 F N3 O6 S
SMILES:	Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C)Cc2ccc([N+]([O-])=O)cc2)C
InChi:	InChI=1S/C17H18FN3O6S/c1-11-9-15(7-8-16(11)18)28(26,27)20(12(2)17(22)19-23)10-13-3-5-14(6-4-13)21(24)25/h3-9,12,23H,10H2,1-2H3,(H,19,22)/t12-/m1/s1
Definition date:	2014-05-15
Last modified:	2014-11-07
Release date:	2014-11-12
Identifier:	N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(4-nitrobenzyl)-D-alaninamide

30P

30P
Name:	N~2~-(3-aminobenzyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide
Formula:	C17 H20 F N3 O4 S
SMILES:	Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C)Cc2cccc(N)c2)C
InChi:	InChI=1S/C17H20FN3O4S/c1-11-8-15(6-7-16(11)18)26(24,25)21(12(2)17(22)20-23)10-13-4-3-5-14(19)9-13/h3-9,12,23H,10,19H2,1-2H3,(H,20,22)/t12-/m1/s1
Definition date:	2014-05-15
Last modified:	2014-11-07
Release date:	2014-11-12
Identifier:	N~2~-(3-aminobenzyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide

30R

30R
Name:	N~2~-[4-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide
Formula:	C18 H22 F N3 O4 S
SMILES:	Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C)Cc2ccc(cc2)CN)C
InChi:	InChI=1S/C18H22FN3O4S/c1-12-9-16(7-8-17(12)19)27(25,26)22(13(2)18(23)21-24)11-15-5-3-14(10-20)4-6-15/h3-9,13,24H,10-11,20H2,1-2H3,(H,21,23)/t13-/m1/s1
Definition date:	2014-05-15
Last modified:	2014-11-07
Release date:	2014-11-12
Identifier:	N~2~-[4-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide

33W

33W
Name:	3-(5-bromothiophen-2-yl)-L-alanine
Formula:	C7 H8 Br N O2 S
SMILES:	Brc1sc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C7H8BrNO2S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)/t5-/m0/s1
Definition date:	2014-06-13
Last modified:	2014-11-07
Release date:	2014-11-12
Identifier:	3-(5-bromothiophen-2-yl)-L-alanine

C1S

C1S
Name:	3-(prop-2-en-1-yldisulfanyl)-L-alanine
Formula:	C6 H11 N O2 S2
SMILES:	O=C(O)C(N)CSSCC=C
InChi:	InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
Definition date:	2013-09-19
Last modified:	2014-11-07
Release date:	2014-11-12
Identifier:	3-(prop-2-en-1-yldisulfanyl)-L-alanine

4BN

4BN
Name:	3-oxo-4-pregnene-20-carboxyl-Coenzyme A
Formula:	C43 H66 N7 O18 P3 S
SMILES:	O=C7C=C6CCC5C(CCC1(C)C5CCC1C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O)C)C6(C)CC7
InChi:	InChI=1S/C43H66N7O18P3S/c1-23(27-8-9-28-26-7-6-24-18-25(51)10-13-42(24,4)29(26)11-14-43(27,28)5)40(56)72-17-16-45-31(52)12-15-46-38(55)35(54)41(2,3)20-65-71(62,63)68-70(60,61)64-19-30-34(67-69(57,58)59)33(53)39(66-30)50-22-49-32-36(44)47-21-48-37(32)50/h18,21-23,26-30,33-35,39,53-54H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t23-,26-,27+,28-,29-,30+,33+,34+,35-,39+,42-,43+/m0/s1
Definition date:	2014-10-15
Last modified:	2014-10-24
Release date:	2014-10-29
Identifier:	S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name)

FI3

FI3
Name:	N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
Formula:	C34 H38 Cl2 N8 O4
SMILES:	Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2)Nc3ccc(cc3)N4CCN(C)CC4)Cc5ccc(NC(=O)CC)cc5
InChi:	InChI=1S/C34H38Cl2N8O4/c1-5-30(45)40-24-8-6-22(7-9-24)20-44(34(46)41-33-31(35)26(47-3)18-27(48-4)32(33)36)29-19-28(37-21-38-29)39-23-10-12-25(13-11-23)43-16-14-42(2)15-17-43/h6-13,18-19,21H,5,14-17,20H2,1-4H3,(H,40,45)(H,41,46)(H,37,38,39)
Definition date:	2014-09-02
Last modified:	2014-10-24
Release date:	2014-10-29
Identifier:	N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide

31O

31O
Name:	methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate
Formula:	C22 H21 Cl N4 O3
SMILES:	O=C(OC)C(C)C3N=C(c1c(ccc(OC)c1)n2c(nnc23)C)c4ccc(Cl)cc4
InChi:	InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
Definition date:	2014-05-20
Last modified:	2014-10-24
Release date:	2014-10-29
Identifier:	methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate

37O

37O
Name:	N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide
Formula:	C35 H40 N8 O4
SMILES:	O=C(Nc1ccc(cc1)CN4c2nc(ncc2CN(c3cc(OC)cc(OC)c3)C4=O)Nc5ccc(cc5)N6CCN(C)CC6)CC
InChi:	InChI=1S/C35H40N8O4/c1-5-32(44)37-26-8-6-24(7-9-26)22-43-33-25(23-42(35(43)45)29-18-30(46-3)20-31(19-29)47-4)21-36-34(39-33)38-27-10-12-28(13-11-27)41-16-14-40(2)15-17-41/h6-13,18-21H,5,14-17,22-23H2,1-4H3,(H,37,44)(H,36,38,39)
Definition date:	2014-07-01
Last modified:	2014-10-24
Release date:	2014-10-29
Identifier:	N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide

2N8

2N8
Name:	(2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide
Formula:	C19 H20 Cl N3 O4 S
SMILES:	O=C(Nc1nccnc1)C(c2ccc(c(Cl)c2)S(=O)(=O)C)CC3CC(=O)CC3
InChi:	InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1
Definition date:	2013-12-09
Last modified:	2014-10-24
Release date:	2014-10-29
Identifier:	(2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide

2SU

2SU
Name:	alpha-(fluoromethyl)-D-tryptophan
Formula:	C12 H13 F N2 O2
SMILES:	O=C(O)C(N)(CF)Cc2c1ccccc1nc2
InChi:	InChI=1S/C12H13FN2O2/c13-7-12(14,11(16)17)5-8-6-15-10-4-2-1-3-9(8)10/h1-4,6,15H,5,7,14H2,(H,16,17)/t12-/m0/s1
Definition date:	2014-01-24
Last modified:	2014-10-24
Release date:	2014-10-29
Identifier:	alpha-(fluoromethyl)-D-tryptophan

R5V

R5V
Name:	N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide
Formula:	C16 H20 N4 O3
SMILES:	O=C(NO)C(c1ccc(cc1)n2nccc2)NC(=O)C(C)(C)C
InChi:	InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)/t13-/m1/s1
Definition date:	2014-09-05
Last modified:	2014-10-24
Release date:	2014-10-29
Identifier:	N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide

30N

30N
Name:	(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name)
Formula:	C21 H36 N7 O18 P3 S
SMILES:	O=S(O)CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:	InChI=1S/C21H36N7O18P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-50(40)41)8-43-49(38,39)46-48(36,37)42-7-11-15(45-47(33,34)35)14(30)20(44-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H,40,41)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
Definition date:	2014-05-13
Last modified:	2014-10-17
Release date:	2014-10-22
Identifier:	(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name)

1P4

1P4
Name:	3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol
Formula:	C18 H30 N10 O3
SMILES:	OCCCn1nnc(c1)CN(Cc2nnn(c2)CCCO)Cc3nnn(c3)CCCO
InChi:	InChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2
Definition date:	2013-04-18
Last modified:	2014-10-17
Release date:	2014-10-22
Identifier:	3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol

3J2

3J2
Name:	Nagilactone C
Formula:	C19 H22 O7
SMILES:	O=C1OC(=C5C(=C1)C4(C2OC2C(O)C3(C(=O)OC(C34)C5O)C)C)C(C)C
InChi:	InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3/t10-,12-,13-,14-,15+,16-,18-,19-/m1/s1
Definition date:	2014-08-22
Last modified:	2014-10-17
Release date:	2014-10-22
Identifier:	(1aR,2R,2aR,4aS,4bR,5R,9bS,9cS)-2,5-dihydroxy-2a,9b-dimethyl-6-(propan-2-yl)-1a,2,2a,4a,4b,5,9b,9c-octahydro-3H,8H-oxireno[5,6][2]benzofuro[7,1-fg]isochromene-3,8-dione

CGV

CGV
Name:	S-[(R)-carboxy(hydroxy)methyl]-L-cysteine
Formula:	C5 H9 N O5 S
SMILES:	O=C(O)C(O)SCC(C(=O)O)N
InChi:	InChI=1S/C5H9NO5S/c6-2(3(7)8)1-12-5(11)4(9)10/h2,5,11H,1,6H2,(H,7,8)(H,9,10)/t2-,5+/m0/s1
Definition date:	2014-01-22
Last modified:	2014-10-10
Release date:	2014-10-15
Identifier:	S-[(R)-carboxy(hydroxy)methyl]-L-cysteine

2ZW

2ZW
Name:	3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
Formula:	C20 H19 Cl N2 O2
SMILES:	Clc1ccccc1c2noc(c2C(=O)Nc3ccc(cc3)C(C)C)C
InChi:	InChI=1S/C20H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)22-20(24)18-13(3)25-23-19(18)16-6-4-5-7-17(16)21/h4-12H,1-3H3,(H,22,24)
Definition date:	2014-05-02
Last modified:	2014-10-10
Release date:	2014-10-15
Identifier:	3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide

3VH

3VH
Name:	(3aR,5aS,8S,10aS)-1-[(3S,6R,8aS)-1'-[(2S)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid
Formula:	C35 H38 Cl N5 O7
SMILES:	O=C(O)C2C=CC1C=CC7C(C(=O)N12)N(C(=O)C4N3C(=O)C6(C=CC3CC4)N(C(=O)C(NC(=O)C)Cc5ccccc5Cl)CCC6)CC7
InChi:	InChI=1S/C35H38ClN5O7/c1-20(42)37-26(19-22-5-2-3-6-25(22)36)30(43)39-17-4-15-35(39)16-13-24-9-11-27(41(24)34(35)48)31(44)38-18-14-21-7-8-23-10-12-28(33(46)47)40(23)32(45)29(21)38/h2-3,5-8,10,12-13,16,21,23-24,26-29H,4,9,11,14-15,17-19H2,1H3,(H,37,42)(H,46,47)/t21-,23-,24-,26-,27-,28-,29-,35+/m0/s1
Definition date:	2013-11-25
Last modified:	2014-10-10
Release date:	2014-10-15
Identifier:	(3aR,5aS,8S,10aS)-1-({(3S,6R,8aS)-1'-[(2S)-2-(acetylamino)-3-(2-chlorophenyl)propanoyl]-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidin]-3-yl}carbonyl)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid (non-preferred name)

DWF

DWF
Name:	N-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Formula:	C29 H25 F2 N5 O5 S
SMILES:	Fc1ccc(cc1)NC(=O)C5(C(=O)Nc4ccc(Oc2nc(ncc2)Nc3cccc(c3)CS(=O)(=O)C)c(F)c4)CC5
InChi:	InChI=1S/C29H25F2N5O5S/c1-42(39,40)17-18-3-2-4-21(15-18)35-28-32-14-11-25(36-28)41-24-10-9-22(16-23(24)31)34-27(38)29(12-13-29)26(37)33-20-7-5-19(30)6-8-20/h2-11,14-16H,12-13,17H2,1H3,(H,33,37)(H,34,38)(H,32,35,36)
Definition date:	2013-10-08
Last modified:	2014-10-10
Release date:	2014-10-15
Identifier:	N-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

3I7

3I7
Name:	3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium
Formula:	C19 H21 N4 O2
SMILES:	O=C(c2c(OCCC[NH3+])cc(c1cnnc1)cc2)Nc3ccccc3
InChi:	InChI=1S/C19H20N4O2/c20-9-4-10-25-18-11-14(15-12-21-22-13-15)7-8-17(18)19(24)23-16-5-2-1-3-6-16/h1-3,5-8,11-13H,4,9-10,20H2,(H,21,22)(H,23,24)/p+1
Definition date:	2014-05-13
Last modified:	2014-10-10
Release date:	2014-10-15
Identifier:	3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium

3J7

3J7
Name:	N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine
Formula:	C18 H19 N7
SMILES:	n2cc1cc(ccc1n2)c4nc3cnccc3c(n4)NCC(N)(C)C
InChi:	InChI=1S/C18H19N7/c1-18(2,19)10-21-17-13-5-6-20-9-15(13)23-16(24-17)11-3-4-14-12(7-11)8-22-25-14/h3-9H,10,19H2,1-2H3,(H,22,25)(H,21,23,24)
Definition date:	2014-08-25
Last modified:	2014-10-10
Release date:	2014-10-15
Identifier:	N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine

YWO

YWO
Name:	O-(5-methyl-2-nitrophenyl)-D-tyrosinamide
Formula:	C16 H17 N3 O4
SMILES:	O=C(N)C(N)Cc2ccc(Oc1cc(ccc1[N+]([O-])=O)C)cc2
InChi:	InChI=1S/C16H17N3O4/c1-10-2-7-14(19(21)22)15(8-10)23-12-5-3-11(4-6-12)9-13(17)16(18)20/h2-8,13H,9,17H2,1H3,(H2,18,20)/t13-/m1/s1
Definition date:	2014-08-20
Last modified:	2014-10-03
Release date:	2014-10-08
Identifier:	O-(5-methyl-2-nitrophenyl)-D-tyrosinamide

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