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MO9

MO9
Name:	(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE
Formula:	C18 H21 F2 N3 O7 S
SMILES:	O=C(OC(C(=O)NCC#N)CS(=O)(=O)Cc1ccccc1OC(F)F)N2CCOCC2
InChi:	InChI=1S/C18H21F2N3O7S/c19-17(20)29-14-4-2-1-3-13(14)11-31(26,27)12-15(16(24)22-6-5-21)30-18(25)23-7-9-28-10-8-23/h1-4,15,17H,6-12H2,(H,22,24)/t15-/m0/s1
Definition date:	2006-03-21
Last modified:	2011-06-04
Identifier:	(1R)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate

533

533
Name:	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:	C18 H16 F2 N8 O2
SMILES:	Fc4ccc(OC=2C(=O)N(c1nc(ncc1C=2)NC(Cn3ncnn3)C)C)c(F)c4
InChi:	InChI=1S/C18H16F2N8O2/c1-10(8-28-23-9-22-26-28)24-18-21-7-11-5-15(17(29)27(2)16(11)25-18)30-14-4-3-12(19)6-13(14)20/h3-7,9-10H,8H2,1-2H3,(H,21,24,25)/t10-/m1/s1
Definition date:	2008-12-31
Last modified:	2011-06-04
Identifier:	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one

MPA

MPA
Name:	(1R)-MENTHYL HEXYL PHOSPHONATE GROUP
Formula:	C16 H33 O3 P
SMILES:	O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC
InChi:	InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate

MPC

MPC
Name:	(1S)-MENTHYL HEXYL PHOSPHONATE GROUP
Formula:	C16 H33 O3 P
SMILES:	O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC
InChi:	InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate

53N

53N
Name:	3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
Formula:	C13 H11 N O4 S
SMILES:	O=C(O)CCc1sc(cc1)c2cccc([N+]([O-])=O)c2
InChi:	InChI=1S/C13H11NO4S/c15-13(16)7-5-11-4-6-12(19-11)9-2-1-3-10(8-9)14(17)18/h1-4,6,8H,5,7H2,(H,15,16)
Definition date:	2008-07-03
Last modified:	2011-06-04
Identifier:	3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid

MPO

MPO
Name:	3[N-MORPHOLINO]PROPANE SULFONIC ACID
Formula:	C7 H15 N O4 S
SMILES:	O=S(=O)(O)CCCN1CCOCC1
InChi:	InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
Definition date:	2000-05-16
Last modified:	2011-06-04
Identifier:	3-morpholin-4-ylpropane-1-sulfonic acid

MPP

MPP
Name:	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID
Formula:	C11 H14 O4
SMILES:	O=C(O)CCc1cc(OC)c(OC)cc1
InChi:	InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-(3,4-dimethoxyphenyl)propanoic acid

541

541
Name:	(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
Formula:	C25 H27 N3 O4
SMILES:	O=C(NO)C(N4C(=O)C(c3ccc(OCc1c2ccccc2nc(c1)C)cc3)(C)CC4)C
InChi:	InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
Definition date:	2006-02-01
Last modified:	2011-06-04
Identifier:	(2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide

MQU

MQU
Name:	7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE
Formula:	C15 H19 N5 O2
SMILES:	n3c2ccc1c(ccn1C(COC)COC)c2c(nc3N)N
InChi:	InChI=1S/C15H19N5O2/c1-21-7-9(8-22-2)20-6-5-10-12(20)4-3-11-13(10)14(16)19-15(17)18-11/h3-6,9H,7-8H2,1-2H3,(H4,16,17,18,19)
Definition date:	2002-07-19
Last modified:	2011-06-04
Identifier:	7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine

550

550
Name:	methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
Formula:	C24 H24 N2 O5
SMILES:	O=C(NO)C1CC1(C(=O)OC)Cc4ccc(OCc2c3ccccc3nc(c2)C)cc4
InChi:	InChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-31-18-9-7-16(8-10-18)12-24(23(28)30-2)13-20(24)22(27)26-29/h3-11,20,29H,12-14H2,1-2H3,(H,26,27)/t20-,24+/m1/s1
Definition date:	2008-09-10
Last modified:	2011-06-04
Identifier:	methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate

MRT

MRT
Name:	(5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid
Formula:	C56 H66 N6 O13
SMILES:	O=C(OCC3c1ccccc1c2ccccc23)N(C)C(c4ccccc4)C(=O)CNC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc5ccccc5)CC(=O)O)C6CCCCC6)CC(=O)O)CC(C)C
InChi:	InChI=1S/C56H66N6O13/c1-33(2)27-42(57-31-46(63)50(36-21-11-6-12-22-36)62(3)56(74)75-32-41-39-25-15-13-23-37(39)38-24-14-16-26-40(38)41)51(68)58-44(30-48(66)67)53(70)61-49(35-19-9-5-10-20-35)54(71)59-43(29-47(64)65)52(69)60-45(55(72)73)28-34-17-7-4-8-18-34/h4,6-8,11-18,21-26,33,35,41-45,49-50,57H,5,9-10,19-20,27-32H2,1-3H3,(H,58,68)(H,59,71)(H,60,69)(H,61,70)(H,64,65)(H,66,67)(H,72,73)/t42-,43-,44-,45-,49-,50+/m0/s1
Definition date:	2008-04-14
Last modified:	2011-06-04
Identifier:	(5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid (non-preferred name)

MS7

MS7
Name:	O-benzyl-N-methyl-L-tyrosinamide
Formula:	C17 H20 N2 O2
SMILES:	O=C(NC)C(N)Cc2ccc(OCc1ccccc1)cc2
InChi:	InChI=1S/C17H20N2O2/c1-19-17(20)16(18)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10,16H,11-12,18H2,1H3,(H,19,20)/t16-/m0/s1
Definition date:	2010-05-05
Last modified:	2011-06-04
Identifier:	O-benzyl-N-methyl-L-tyrosinamide

MTJ

MTJ
Name:	N,O-DIMETHYL-L-TYROSINE
Formula:	C11 H15 N O3
SMILES:	O=C(O)C(NC)Cc1ccc(OC)cc1
InChi:	InChI=1S/C11H15NO3/c1-12-10(11(13)14)7-8-3-5-9(15-2)6-4-8/h3-6,10,12H,7H2,1-2H3,(H,13,14)/t10-/m0/s1
Definition date:	2004-04-15
Last modified:	2011-06-04
Identifier:	N,O-dimethyl-L-tyrosine

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

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

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

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

N3D

N3D
Name:	N-methylpropane-1,3-diamine
Formula:	C4 H12 N2
SMILES:	NCCCNC
InChi:	InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3
Definition date:	2008-12-15
Last modified:	2011-06-04
Identifier:	N-methylpropane-1,3-diamine

N7R

N7R
Name:	N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
Formula:	C26 H27 F5 N6 O3
SMILES:	O=C(NC2C(=O)N(CC(F)(F)F)CC(c1cccc(F)c1F)CC2)N5CCC(N4c3cccnc3NC4=O)CC5
InChi:	InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
Definition date:	2010-06-11
Last modified:	2011-06-04
Identifier:	N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

NBA

NBA
Name:	3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-1,1-DIOL
Formula:	C10 H25 N3 O2
SMILES:	OC(O)CCNCCCNCCCNC
InChi:	InChI=1S/C10H25N3O2/c1-11-5-2-6-12-7-3-8-13-9-4-10(14)15/h10-15H,2-9H2,1H3
Definition date:	2001-01-29
Last modified:	2011-06-04
Identifier:	3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol

NBC

NBC
Name:	S-4-NITROBUTYRYL-COA
Formula:	C25 H41 N8 O19 P3 S
SMILES:	[O-][N+](=O)CCCC(=O)SCCNC(=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/C25H41N8O19P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-56-16(35)4-3-8-33(39)40)11-49-55(46,47)52-54(44,45)48-10-14-19(51-53(41,42)43)18(36)24(50-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,36-37H,3-11H2,1-2H3,(H,27,34)(H,28,38)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t14-,18-,19-,20+,24-/m1/s1
Definition date:	2002-04-30
Last modified:	2011-06-04
Identifier:	S-{(9R,13S,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 4-nitrobutanethioate (non-preferred name)

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223790

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