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3CL

3CL
Name:	3-CHLOROPROPANOL
Formula:	C3 H7 Cl O
SMILES:	ClCCCO
InChi:	InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2
Definition date:	2004-11-03
Last modified:	2011-06-04
Identifier:	3-chloropropan-1-ol

3CN

3CN
Name:	3-AMINOPROPANE
Formula:	C3 H9 N
SMILES:	NCCC
InChi:	InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
Definition date:	1999-11-01
Last modified:	2011-06-04
Identifier:	propan-1-amine

3CP

3CP
Name:	3-CARBOXYPROPYL-COENZYME A
Formula:	C25 H42 N7 O18 P3 S
SMILES:	O=C(O)CCCSCCNC(=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/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(33)27-7-9-54-8-3-4-16(34)35)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,36-37H,3-11H2,1-2H3,(H,27,33)(H,28,38)(H,34,35)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(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-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)

3CS

3CS
Name:	3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID
Formula:	C36 H37 I N2 O4
SMILES:	O=C(O)C(C)(C)Cc4c(c3cc(OCc1nc2c(cc1)cccc2)ccc3n4Cc5ccc(I)cc5)C(=O)CC(C)(C)C
InChi:	InChI=1S/C36H37IN2O4/c1-35(2,3)20-32(40)33-28-18-27(43-22-26-15-12-24-8-6-7-9-29(24)38-26)16-17-30(28)39(21-23-10-13-25(37)14-11-23)31(33)19-36(4,5)34(41)42/h6-18H,19-22H2,1-5H3,(H,41,42)
Definition date:	2007-06-15
Last modified:	2011-06-04
Identifier:	3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid

3CX

3CX
Name:	(2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
Formula:	C9 H19 N O4 S
SMILES:	O=S(=O)(O)CC(O)CNC1CCCCC1
InChi:	InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m0/s1
Definition date:	2010-09-22
Last modified:	2011-06-04
Identifier:	(2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid

MUW

MUW
Name:	N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE
Formula:	C34 H46 N4 O6 S
SMILES:	O=C(OC)NC(C(=O)NCCCCC(N(S(=O)(=O)c1ccc(cc1)CN)CC(C)C)CO)C(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C34H46N4O6S/c1-25(2)23-38(45(42,43)30-19-17-26(22-35)18-20-30)29(24-39)16-10-11-21-36-33(40)32(37-34(41)44-3)31(27-12-6-4-7-13-27)28-14-8-5-9-15-28/h4-9,12-15,17-20,25,29,31-32,39H,10-11,16,21-24,35H2,1-3H3,(H,36,40)(H,37,41)/t29-,32-/m0/s1
Definition date:	2007-06-04
Last modified:	2011-06-04
Identifier:	N-{(5S)-5-[{[4-(aminomethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-6-hydroxyhexyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide

3DP

3DP
Name:	3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE
Formula:	C13 H29 N O3 S
SMILES:	[O-]S(=O)(=O)CCC[N+](C)(CCCCCCCC)C
InChi:	InChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3
Definition date:	2006-01-12
Last modified:	2011-06-04
Identifier:	3-[dimethyl(octyl)ammonio]propane-1-sulfonate

3ET

3ET
Name:	O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine
Formula:	C16 H21 N3 O10
SMILES:	O=C(OCC(N)C(=O)OCC(C(=O)O)NC(=O)c1cccc(O)c1O)C(N)CO
InChi:	InChI=1S/C16H21N3O10/c17-8(4-20)15(26)28-5-9(18)16(27)29-6-10(14(24)25)19-13(23)7-2-1-3-11(21)12(7)22/h1-3,8-10,20-22H,4-6,17-18H2,(H,19,23)(H,24,25)/t8-,9-,10+/m1/s1
Definition date:	2009-06-26
Last modified:	2011-06-04
Identifier:	O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine

MXG

MXG
Name:	2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Formula:	C24 H36 N6 O9 S
SMILES:	O=C(NC(C(=O)NC(C(=O)O)CCC(=O)NC(C(=O)NC(C=O)C1N=C(C(=C)CS1)C(=O)O)CCCCN)C)C
InChi:	InChI=1S/C24H36N6O9S/c1-12-11-40-22(30-19(12)24(38)39)17(10-31)29-21(35)15(6-4-5-9-25)27-18(33)8-7-16(23(36)37)28-20(34)13(2)26-14(3)32/h10,13,15-17,22H,1,4-9,11,25H2,2-3H3,(H,26,32)(H,27,33)(H,28,34)(H,29,35)(H,36,37)(H,38,39)/t13-,15-,16+,17+,22+/m0/s1
Definition date:	2003-03-03
Last modified:	2011-06-04
Identifier:	N-acetyl-L-alanyl-D-gamma-glutamyl-N-{(1R)-1-[(2R)-4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl]-2-oxoethyl}-L-lysinamide

MY9

MY9
Name:	N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE
Formula:	C33 H40 F N5 O6 S
SMILES:	O=C1N(C)C(NC1C(O)C(NC(=O)c3cc(N(C)S(=O)(=O)C)cc(C(=O)NC(c2ccc(F)cc2)C)c3)Cc4ccccc4)(C)C
InChi:	InChI=1S/C33H40FN5O6S/c1-20(22-12-14-25(34)15-13-22)35-30(41)23-17-24(19-26(18-23)39(5)46(6,44)45)31(42)36-27(16-21-10-8-7-9-11-21)29(40)28-32(43)38(4)33(2,3)37-28/h7-15,17-20,27-29,37,40H,16H2,1-6H3,(H,35,41)(H,36,42)/t20-,27+,28+,29+/m1/s1
Definition date:	2007-03-28
Last modified:	2011-06-04
Identifier:	N-{(1S,2S)-1-benzyl-2-hydroxy-2-[(4S)-1,2,2-trimethyl-5-oxoimidazolidin-4-yl]ethyl}-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide

3GC

3GC
Name:	GAMMA-GLUTAMYLCYSTEINE
Formula:	C8 H14 N2 O5 S
SMILES:	O=C(O)C(NC(=O)CCC(C(=O)O)N)CS
InChi:	InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
Definition date:	2002-07-01
Last modified:	2011-06-04
Identifier:	L-gamma-glutamyl-L-cysteine

MYP

MYP
Name:	4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE
Formula:	C31 H42 N4 O5 S
SMILES:	O=S(=O)(c1ccccc1)/C=C/C(NC(=O)C(NC(=O)N3CCC(N2CCOCC2)CC3)Cc4ccccc4)CCC
InChi:	InChI=1S/C31H42N4O5S/c1-2-9-26(16-23-41(38,39)28-12-7-4-8-13-28)32-30(36)29(24-25-10-5-3-6-11-25)33-31(37)35-17-14-27(15-18-35)34-19-21-40-22-20-34/h3-8,10-13,16,23,26-27,29H,2,9,14-15,17-22,24H2,1H3,(H,32,36)(H,33,37)/t26-,29-/m0/s1
Definition date:	2002-10-07
Last modified:	2011-06-04
Identifier:	Nalpha-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}-L-phenylalaninamide

MYT

MYT
Name:	METYRAPONE
Formula:	C14 H14 N2 O
SMILES:	O=C(c1cccnc1)C(c2cccnc2)(C)C
InChi:	InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-methyl-1,2-dipyridin-3-ylpropan-1-one

MZ1

MZ1
Name:	N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE
Formula:	C26 H28 F3 N3 O5 S2
SMILES:	O=S(=O)(N(Cc1sccc1)CC(O)C(NC(=O)C(NC(=O)C)C)Cc2ccccc2)c3cc(F)c(F)cc3F
InChi:	InChI=1S/C26H28F3N3O5S2/c1-16(30-17(2)33)26(35)31-23(11-18-7-4-3-5-8-18)24(34)15-32(14-19-9-6-10-38-19)39(36,37)25-13-21(28)20(27)12-22(25)29/h3-10,12-13,16,23-24,34H,11,14-15H2,1-2H3,(H,30,33)(H,31,35)/t16-,23-,24+/m0/s1
Definition date:	2007-07-12
Last modified:	2011-06-04
Identifier:	N~2~-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-L-alaninamide

3HI

3HI
Name:	(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Formula:	C33 H35 F N2 O6
SMILES:	O=C(O)CC(O)CC(O)CCn2c(c(c(c2c1ccc(F)cc1)c3ccccc3)C(=O)Nc4ccccc4O)C(C)C
InChi:	InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1
Definition date:	2008-02-27
Last modified:	2011-06-04
Identifier:	(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid

3IO

3IO
Name:	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID
Formula:	C11 H9 N O3
SMILES:	O=C(O)C(=O)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
Definition date:	2006-03-06
Last modified:	2011-06-04
Identifier:	3-(1H-indol-3-yl)-2-oxopropanoic acid

N10

N10
Name:	O-[(HEXYLAMINO)CARBONYL]-L-SERINE
Formula:	C10 H20 N2 O4
SMILES:	O=C(O)C(N)COC(=O)NCCCCCC
InChi:	InChI=1S/C10H20N2O4/c1-2-3-4-5-6-12-10(15)16-7-8(11)9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
Definition date:	2007-05-31
Last modified:	2011-06-04
Identifier:	O-(hexylcarbamoyl)-L-serine

N12

N12
Name:	N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE
Formula:	C24 H36 N6 O4
SMILES:	O=C(O)CNC(C(=O)NC2(C(=O)NCc1cnc(C(=[N@H])N)cc1)CCCC2)CC3CCCCC3
InChi:	InChI=1S/C24H36N6O4/c25-21(26)18-9-8-17(13-27-18)14-29-23(34)24(10-4-5-11-24)30-22(33)19(28-15-20(31)32)12-16-6-2-1-3-7-16/h8-9,13,16,19,28H,1-7,10-12,14-15H2,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t19-/m1/s1
Definition date:	2006-10-30
Last modified:	2011-06-04
Identifier:	N-[(1R)-2-[(1-{[(6-carbamimidoylpyridin-3-yl)methyl]carbamoyl}cyclopentyl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]glycine

NHS

NHS
Name:	10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID
Formula:	C23 H22 N4 O8
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)C(C(=O)O)Cc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O
InChi:	InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17-/m0/s1
Definition date:	1999-07-30
Last modified:	2011-06-04
Identifier:	N-({4-[(1S)-2-(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)-1-carboxyethyl]phenyl}carbonyl)-L-glutamic acid

NHX

NHX
Name:	N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-naphthalen-2-yl-L-alanyl-L-alaninamide
Formula:	C24 H32 N4 O5
SMILES:	CC(C)C[CH](CC(=O)NO)C(=O)N[CH](Cc1ccc2ccccc2c1)C(=O)N[CH](C)C(N)=O
InChi:	InChI=1S/C24H32N4O5/c1-14(2)10-19(13-21(29)28-33)23(31)27-20(24(32)26-15(3)22(25)30)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,14-15,19-20,33H,10,12-13H2,1-3H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t15-,19+,20-/m0/s1
Definition date:	2009-11-09
Last modified:	2011-06-04
Identifier:	(2R)-N-[(2S)-1-[[(2S)-1-azanyl-1-oxo-propan-2-yl]amino]-3-naphthalen-2-yl-1-oxo-propan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

3LP

3LP
Name:	1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL
Formula:	C22 H32 N2 O
SMILES:	OC(CNC1CCCCC1)Cn2c4c(c3c2CCCC3)cc(cc4)C
InChi:	InChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3/t18-/m0/s1
Definition date:	2007-03-28
Last modified:	2011-06-04
Identifier:	(2S)-1-(cyclohexylamino)-3-(6-methyl-1,2,3,4-tetrahydro-9H-carbazol-9-yl)propan-2-ol

NIS

NIS
Name:	2-NITROPROPANE
Formula:	C3 H7 N O2
SMILES:	[O-][N+](=O)C(C)C
InChi:	InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
Definition date:	2006-04-05
Last modified:	2011-06-04
Identifier:	2-nitropropane

3NF

3NF
Name:	N-acetyl-L-tyrosine
Formula:	C11 H13 N O4
SMILES:	O=C(O)C(NC(=O)C)Cc1ccc(O)cc1
InChi:	InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1
Definition date:	2010-06-11
Last modified:	2011-06-04
Identifier:	N-acetyl-L-tyrosine

3NP

3NP
Name:	3-NITROPROPANOIC ACID
Formula:	C3 H5 N O4
SMILES:	[O-][N+](=O)CCC(=O)O
InChi:	InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
Definition date:	2005-02-09
Last modified:	2011-06-04
Identifier:	3-nitropropanoic acid

NM2

NM2
Name:	3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM
Formula:	C7 H16 N O2
SMILES:	O=C(O)CCC[N+](C)(C)C
InChi:	InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
Definition date:	2009-09-10
Last modified:	2011-06-04
Identifier:	3-carboxy-N,N,N-trimethylpropan-1-aminium

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