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COI

COI
Name:	2-OXO-4-METHYLPENTANOIC ACID
Formula:	C6 H10 O3
SMILES:	O=C(C(=O)O)CC(C)C
InChi:	InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
Synonyms:	alpha-ketoisocaproic acid
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-methyl-2-oxopentanoic acid

COM

COM
Name:	1-THIOETHANESULFONIC ACID
Formula:	C2 H6 O3 S2
SMILES:	O=S(=O)(O)CCS
InChi:	InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-sulfanylethanesulfonic acid

0H8

0H8
Name:	N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamide
Formula:	C19 H35 N4 O8 P
SMILES:	O=C(NC(CCCCN)P(=O)(O)O)C1N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC1
InChi:	InChI=1S/C19H35N4O8P/c1-12(2)17(21-14(24)8-9-16(25)26)19(28)23-11-5-6-13(23)18(27)22-15(32(29,30)31)7-3-4-10-20/h12-13,15,17H,3-11,20H2,1-2H3,(H,21,24)(H,22,27)(H,25,26)(H2,29,30,31)/t13-,15+,17-/m0/s1
Definition date:	2009-01-16
Last modified:	2024-09-27
Identifier:	N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamide

CP5

CP5
Name:	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE
Formula:	C9 H6 O5 P
SMILES:	O=C([O-])C(=C/OP(=O)=O)c1ccccc1
InChi:	InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6-
Definition date:	2004-03-03
Last modified:	2024-09-27
Identifier:	(2Z)-3-{[oxido(oxo)phosphanyl]oxy}-2-phenylprop-2-enoate

CPA

CPA
Name:	2'-DEOXYCYTIDINE-2'-DEOXYADENOSINE-3',5'-MONOPHOSPHATE
Formula:	C19 H25 N8 O9 P
SMILES:	O=C1N=C(N)C=CN1C5OC(CO)C(OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)CC4O)C5
InChi:	InChI=1S/C19H25N8O9P/c20-13-1-2-26(19(30)25-13)15-4-10(11(5-28)34-15)36-37(31,32)33-6-12-9(29)3-14(35-12)27-8-24-16-17(21)22-7-23-18(16)27/h1-2,7-12,14-15,28-29H,3-6H2,(H,31,32)(H2,20,25,30)(H2,21,22,23)/t9-,10-,11+,12+,14+,15+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl hydrogen (R)-phosphate (non-preferred name)

CPC

CPC
Name:	2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACID
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1(NC)CC1C
InChi:	InChI=1S/C6H11NO2/c1-4-3-6(4,7-2)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-,6-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(1S,2S)-2-methyl-1-(methylamino)cyclopropanecarboxylic acid

0HQ

0HQ
Name:	diazomethane
Formula:	C H2 N2
SMILES:	[N-]=[N+]=C
InChi:	InChI=1S/CH2N2/c1-3-2/h1H2
Synonyms:	DIAZOMETHYL GROUP
Definition date:	2008-12-09
Last modified:	2024-09-27
Identifier:	diazomethane

CPI

CPI
Name:	6-CARBOXYPIPERIDINE
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1NCCCC1
InChi:	InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-piperidine-2-carboxylic acid

CPN

CPN
Name:	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE
Formula:	C10 H16 N5 O4
SMILES:	O=C(N(CC(=O)O)CC[NH3+])CN1C=CC(=NC1=O)N
InChi:	InChI=1S/C10H15N5O4/c11-2-4-14(6-9(17)18)8(16)5-15-3-1-7(12)13-10(15)19/h1,3H,2,4-6,11H2,(H,17,18)(H2,12,13,19)/p+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-{[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl](carboxymethyl)amino}ethanaminium

0I5

0I5
Name:	N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide
Formula:	C22 H32 F N3 O4
SMILES:	O=C(NC(C(=O)NC(C(=O)CF)CCc1ccccc1)CC(C)C)N2CCOCC2
InChi:	InChI=1S/C22H32FN3O4/c1-16(2)14-19(25-22(29)26-10-12-30-13-11-26)21(28)24-18(20(27)15-23)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1
Synonyms:	Morpholino-Leu-homoPhe-FMK
Definition date:	2008-09-14
Last modified:	2024-09-27
Identifier:	N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide

CPX

CPX
Name:	N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE
Formula:	C24 H38 N4 O4
SMILES:	O=C(N2C(C(NC(=O)C1CC1)CC2)C3(C=O)CCC3)C(NC(=O)NC4CCCC4)C(C)C
InChi:	InChI=1S/C24H38N4O4/c1-15(2)19(27-23(32)25-17-6-3-4-7-17)22(31)28-13-10-18(26-21(30)16-8-9-16)20(28)24(14-29)11-5-12-24/h14-20H,3-13H2,1-2H3,(H,26,30)(H2,25,27,32)/t18-,19-,20-/m0/s1
Definition date:	2003-12-11
Last modified:	2024-09-27
Identifier:	N-[(2R,3S)-1-[N-(cyclopentylcarbamoyl)-L-valyl]-2-(1-formylcyclobutyl)pyrrolidin-3-yl]cyclopropanecarboxamide

0IN

0IN
Name:	7-(pyridin-3-ylmethyl)quinolin-8-ol
Formula:	C15 H12 N2 O
SMILES:	Oc1c(ccc2cccnc12)Cc3cccnc3
InChi:	InChI=1S/C15H12N2O/c18-15-13(9-11-3-1-7-16-10-11)6-5-12-4-2-8-17-14(12)15/h1-8,10,18H,9H2
Definition date:	2009-09-11
Last modified:	2024-09-27
Identifier:	7-(pyridin-3-ylmethyl)quinolin-8-ol

CQ1

CQ1
Name:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C15 H16 N6 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ccc(/N=[N+]=[N-])cc2
InChi:	InChI=1S/C15H16N6O4/c1-8(22)13(16)14-18-11(15(25)21(14)7-12(23)24)6-9-2-4-10(5-3-9)19-20-17/h2-6,8,13,22H,7,16H2,1H3,(H,23,24)/b11-6-/t8-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2013-02-21
Last modified:	2024-09-27
Release date:	2013-06-26
Identifier:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

CQ2

CQ2
Name:	{(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H18 N4 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ccc(N)cc2
InChi:	InChI=1S/C15H18N4O4/c1-8(20)13(17)14-18-11(15(23)19(14)7-12(21)22)6-9-2-4-10(16)5-3-9/h2-6,8,13,20H,7,16-17H2,1H3,(H,21,22)/t8-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2013-02-21
Last modified:	2024-09-27
Release date:	2013-06-26
Identifier:	{(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

CQ3

CQ3
Name:	N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
Formula:	C18 H22 Cl N5 O2
SMILES:	CCC(=O)Nc1ccccc1Nc2nc(NC3CCOCC3)ncc2Cl
InChi:	InChI=1S/C18H22ClN5O2/c1-2-16(25)22-14-5-3-4-6-15(14)23-17-13(19)11-20-18(24-17)21-12-7-9-26-10-8-12/h3-6,11-12H,2,7-10H2,1H3,(H,22,25)(H2,20,21,23,24)
Definition date:	2015-04-13
Last modified:	2024-09-27
Release date:	2015-05-27
Identifier:	N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide

0IW

0IW
Name:	Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide
Formula:	C32 H40 N4 O4 S
SMILES:	O=C(N1CCN(C)CC1)NC(C(=O)NC(CCc2ccccc2)CCS(=O)(=O)c3ccccc3)Cc4ccccc4
InChi:	InChI=1S/C32H40N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,28,30H,17-25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1
Synonyms:	APC-3316, bound form
Definition date:	2008-09-14
Last modified:	2024-09-27
Identifier:	Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide

CQ6

CQ6
Name:	7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
Formula:	C14 H22 N4 O3 S
SMILES:	CC[S](=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
InChi:	InChI=1S/C14H22N4O3S/c1-2-22(19,20)18-6-3-11-9-15-14(17-13(11)10-18)16-12-4-7-21-8-5-12/h9,12H,2-8,10H2,1H3,(H,15,16,17)
Definition date:	2015-04-13
Last modified:	2024-09-27
Release date:	2015-05-27
Identifier:	7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

0JH

0JH
Name:	tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
Formula:	C24 H29 N5 O3
SMILES:	O=C(OC(C)(C)C)C(C#N)Cc2c(c1c(ncnc1n2CCCO)N)c3ccc(cc3)C
InChi:	InChI=1S/C24H29N5O3/c1-15-6-8-16(9-7-15)19-18(12-17(13-25)23(31)32-24(2,3)4)29(10-5-11-30)22-20(19)21(26)27-14-28-22/h6-9,14,17,30H,5,10-12H2,1-4H3,(H2,26,27,28)/t17-/m0/s1
Synonyms:	(E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate, bound form
Definition date:	2012-01-23
Last modified:	2024-09-27
Identifier:	tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate

CQQ

CQQ
Name:	4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
Formula:	C28 H29 N7 O2
SMILES:	O=C(Nc1ccc(cc1)C(=O)Nc4cc(Nc2nc(ccn2)c3cccnc3)ccc4)CCCN(C)C
InChi:	InChI=1S/C28H29N7O2/c1-35(2)17-5-9-26(36)31-22-12-10-20(11-13-22)27(37)32-23-7-3-8-24(18-23)33-28-30-16-14-25(34-28)21-6-4-15-29-19-21/h3-4,6-8,10-16,18-19H,5,9,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)
Definition date:	2011-12-28
Last modified:	2024-09-27
Identifier:	4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

0JO

0JO
Name:	2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid
Formula:	C11 H13 N2 O7 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(=C)C(=O)O)C
InChi:	InChI=1S/C11H13N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,14H,2,5H2,1H3,(H,15,16)(H2,17,18,19)/b13-4+
Definition date:	2012-01-24
Last modified:	2024-09-27
Identifier:	2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid

0JT

0JT
Name:	(4R)-4-amino-5-methylhexanoic acid
Formula:	C7 H15 N O2
SMILES:	O=C(O)CCC(N)C(C)C
InChi:	InChI=1S/C7H15NO2/c1-5(2)6(8)3-4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
Definition date:	2012-08-16
Last modified:	2024-09-27
Release date:	2012-08-24
Identifier:	(4R)-4-amino-5-methylhexanoic acid

0JU

0JU
Name:	(4S,5Z)-4-amino-5-iminopentanamide
Formula:	C5 H11 N3 O
SMILES:	O=C(N)CCC(C=[N@H])N
InChi:	InChI=1S/C5H11N3O/c6-3-4(7)1-2-5(8)9/h3-4,6H,1-2,7H2,(H2,8,9)/b6-3-/t4-/m0/s1
Definition date:	2012-01-27
Last modified:	2024-09-27
Release date:	2012-12-07
Identifier:	(4S,5Z)-4-amino-5-iminopentanamide

CR0

CR0
Name:	[2-(1-AMINO-2-HYDROXYPROPYL)-2-HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETALDEHYDE
Formula:	C12 H21 N3 O5
SMILES:	O=CCN1C(=O)C(=NC1(O)C(N)C(O)C)CC(C)C
InChi:	InChI=1S/C12H21N3O5/c1-6(2)4-8-11(19)15(5-9(17)18)12(20,14-8)10(13)7(3)16/h6-7,10,16,20H,4-5,13H2,1-3H3,(H,17,18)/t7-,10+,12-/m1/s1
Synonyms:	1-(2-ETHANONE)-2-HYDROXY-2-(1-AMINO-2-METHYL-2-ETHANOL)-4-(2-DIMETHYL)ETHANE-IMIDAZOLINE-5-ONE
Definition date:	2004-02-05
Last modified:	2024-09-27
Identifier:	[(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetaldehyde

CR2

CR2
Name:	{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C13 H13 N3 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)CN)=Cc2ccc(O)cc2
InChi:	InChI=1S/C13H13N3O4/c14-6-11-15-10(13(20)16(11)7-12(18)19)5-8-1-3-9(17)4-2-8/h1-5,17H,6-7,14H2,(H,18,19)/b10-5-
Synonyms:	CHROMOPHORE (GLY-TYR-GLY)
Definition date:	2003-01-03
Last modified:	2024-09-27
Identifier:	{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

0JY

0JY
Name:	4-methyl-L-leucine
Formula:	C7 H15 N O2
SMILES:	O=C(O)C(N)CC(C)(C)C
InChi:	InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
Definition date:	2012-08-16
Last modified:	2024-09-27
Release date:	2012-10-26
Identifier:	4-methyl-L-leucine

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