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2LR

2LR
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide
Formula:	C29 H47 N3 O6
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(O)C2(OC2)C)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C29H47N3O6/c1-18(2)13-22(25(33)29(7)17-38-29)30-26(34)23(14-19(3)4)31-27(35)24(15-20(5)6)32-28(36)37-16-21-11-9-8-10-12-21/h8-12,18-20,22-25,33H,13-17H2,1-7H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24-,25+,29+/m0/s1
Synonyms:	PHQ-LEU-LEU-LEU-EPOXYKETONE, unbound form
Definition date:	2013-11-28
Last modified:	2024-09-27
Release date:	2014-02-12
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide

DIP

DIP
Name:	DIPENTYLAMINE
Formula:	C10 H23 N
SMILES:	N(CCCCC)CCCCC
InChi:	InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-pentylpentan-1-amine

2LT

2LT
Name:	3,5-dichloro-L-tyrosine
Formula:	C9 H9 Cl2 N O3
SMILES:	Clc1cc(cc(Cl)c1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
Definition date:	2013-12-18
Last modified:	2024-09-27
Release date:	2014-09-24
Identifier:	3,5-dichloro-L-tyrosine

2LV

2LV
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide
Formula:	C33 H48 N4 O6
SMILES:	O=C(Nc1ccccc1)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C33H48N4O6/c1-21(2)17-26(29(38)32(41)34-25-15-11-8-12-16-25)35-30(39)27(18-22(3)4)36-31(40)28(19-23(5)6)37-33(42)43-20-24-13-9-7-10-14-24/h7-16,21-23,26-29,38H,17-20H2,1-6H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t26-,27-,28-,29-/m0/s1
Synonyms:	PHQ-Leu-Leu-Leu-ketoamide, bound form
Definition date:	2013-11-29
Last modified:	2024-09-27
Release date:	2014-02-12
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide

DIV

DIV
Name:	D-ISOVALINE
Formula:	C5 H11 N O2
SMILES:	O=C(O)C(N)(C)CC
InChi:	InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	D-isovaline

DIX

DIX
Name:	METHYL(CYCLOPENTYL-PROPYL)AMINE
Formula:	C9 H19 N
SMILES:	N(CCCC1CCCC1)C
InChi:	InChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-cyclopentyl-N-methylpropan-1-amine

2M1

2M1
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide
Formula:	C28 H47 N3 O6 S
SMILES:	O=S(=O)(C)CCC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C28H47N3O6S/c1-19(2)15-23(13-14-38(7,35)36)29-26(32)24(16-20(3)4)30-27(33)25(17-21(5)6)31-28(34)37-18-22-11-9-8-10-12-22/h8-12,19-21,23-25H,13-18H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1
Synonyms:	PHQ-Leu-Leu-Leu-vinylsulfone
Definition date:	2013-12-02
Last modified:	2024-09-27
Release date:	2014-02-12
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide

DIY

DIY
Name:	5-BUTYLPIPERIDINE
Formula:	C9 H19 N
SMILES:	N1CCCC(CCCC)C1
InChi:	InChI=1S/C9H19N/c1-2-3-5-9-6-4-7-10-8-9/h9-10H,2-8H2,1H3/t9-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3R)-3-butylpiperidine

DJ5

DJ5
Name:	N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide
Formula:	C27 H52 N3 O8 P
SMILES:	O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CCCCCCC/C=CCCCCCC
InChi:	InChI=1S/C27H52N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h9-10,25,33H,4-8,11-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/b10-9-/t25-/m0/s1
Definition date:	2021-11-30
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

DJD

DJD
Name:	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
Formula:	C12 H13 N5 O2
SMILES:	NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O
InChi:	InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1
Definition date:	2017-10-26
Last modified:	2024-09-27
Release date:	2019-10-02
Identifier:	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine

2MK

2MK
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide
Formula:	C27 H45 N3 O6
SMILES:	O=C(NC(CC(C)C)C(O)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:	InChI=1S/C27H45N3O6/c1-17(2)12-21(24(32)15-31)28-25(33)22(13-18(3)4)29-26(34)23(14-19(5)6)30-27(35)36-16-20-10-8-7-9-11-20/h7-11,17-19,21-24,31-32H,12-16H2,1-6H3,(H,28,33)(H,29,34)(H,30,35)/t21-,22-,23-,24-/m0/s1
Synonyms:	PHQ-Leu-Leu-Leu-ketoaldehyde, bound form
Definition date:	2013-12-04
Last modified:	2024-09-27
Release date:	2014-02-12
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide

DJK

DJK
Name:	N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
Formula:	C17 H13 Br N4 O
SMILES:	Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)C=C
InChi:	InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
Definition date:	2006-08-02
Last modified:	2024-09-27
Identifier:	N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide

2ML

2ML
Name:	2-METHYLLEUCINE
Formula:	C7 H15 N O2
SMILES:	O=C(O)C(N)(C)CC(C)C
InChi:	InChI=1S/C7H15NO2/c1-5(2)4-7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1
Definition date:	2001-02-08
Last modified:	2024-09-27
Identifier:	2-methyl-L-leucine

2MM

2MM
Name:	N,N-dimethyl-L-methionine
Formula:	C7 H15 N O2 S
SMILES:	O=C(O)C(N(C)C)CCSC
InChi:	InChI=1S/C7H15NO2S/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
Definition date:	2008-03-14
Last modified:	2024-09-27
Identifier:	N,N-dimethyl-L-methionine

2MR

2MR
Name:	N3, N4-DIMETHYLARGININE
Formula:	C8 H18 N4 O2
SMILES:	O=C(O)C(N)CCCNC(=N/C)NC
InChi:	InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
Definition date:	2000-11-03
Last modified:	2024-09-27
Identifier:	N~5~-(N,N'-dimethylcarbamimidoyl)-L-ornithine

2MT

2MT
Name:	(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
Formula:	C6 H11 N O2 S
SMILES:	O=C(O)C1NC(SC1)(C)C
InChi:	InChI=1S/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
Synonyms:	2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
Definition date:	2004-02-16
Last modified:	2024-09-27
Identifier:	(4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid

DJT

DJT
Name:	(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
Formula:	C25 H25 Cl F N3 O4 S
SMILES:	O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(F)cc3)CC4)C5
InChi:	InChI=1S/C25H25ClFN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
Definition date:	2010-10-15
Last modified:	2024-09-27
Identifier:	(4R)-4-[(2-chlorophenyl)sulfonyl]-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide

2N2

2N2
Name:	2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid
Formula:	C27 H26 N2 O7 S
SMILES:	O=CCCCCCNC(=S)Nc1ccc(c(C(=O)O)c1)C3c4c(Oc2c3ccc(O)c2)cc(O)cc4
InChi:	InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37)
Definition date:	2013-12-05
Last modified:	2024-09-27
Release date:	2014-02-26
Identifier:	2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid

2NF

2NF
Name:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate
Formula:	C21 H26 F N7 O13 P2
SMILES:	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2F
InChi:	InChI=1S/C21H26FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H5-,23,24,25,26,33,34,35,36,37)/t10-,11-,12-,14-,15-,16-,20-,21-/m1/s1
Synonyms:	nicotinamide 2'-deoxy-2'-fluororibofuranosyl adenine dinucleotide
Definition date:	2009-03-27
Last modified:	2024-09-27
Identifier:	[(2R,3R,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate

DKA

DKA
Name:	DECANOIC ACID
Formula:	C10 H20 O2
SMILES:	O=C(O)CCCCCCCCC
InChi:	InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
Definition date:	2000-07-17
Last modified:	2024-09-27
Identifier:	decanoic acid

2NO

2NO
Name:	NITROGEN DIOXIDE
Formula:	N O2
SMILES:	ON=O
InChi:	InChI=1S/HNO2/c2-1-3/h(H,2,3)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	nitrous acid

DLE

DLE
Name:	D-LEUCINE
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)CC(C)C
InChi:	InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	D-leucine

2ON

2ON
Name:	2-sulfanyl-1,9-dihydro-6H-purin-6-one
Formula:	C5 H4 N4 O S
SMILES:	O=C1c2ncnc2N=C(S)N1
InChi:	InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
Definition date:	2014-04-23
Last modified:	2024-09-27
Release date:	2015-04-01
Identifier:	2-sulfanyl-1,9-dihydro-6H-purin-6-one

2OP

2OP
Name:	(2S)-2-HYDROXYPROPANOIC ACID
Formula:	C3 H6 O3
SMILES:	O=C(O)C(O)C
InChi:	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
Definition date:	2004-12-29
Last modified:	2024-09-27
Identifier:	(2S)-2-hydroxypropanoic acid

2OR

2OR
Name:	amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
Formula:	C6 H15 N4 O4
SMILES:	O=C(O)C(N)C(O)C(O)CNC(=[NH2+])N
InChi:	InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1
Definition date:	2013-08-28
Last modified:	2024-09-27
Release date:	2014-06-25
Identifier:	amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium

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