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CTB

CTB
Name:	N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID
Formula:	C7 H10 B N O3 S
SMILES:	O=C(NCB(O)O)Cc1sccc1
InChi:	InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)
Definition date:	2000-09-26
Last modified:	2024-09-27
Identifier:	{[(thiophen-2-ylacetyl)amino]methyl}boronic acid

CTE

CTE
Name:	7-CHLOROTRYPTOPHAN
Formula:	C11 H11 Cl N2 O2
SMILES:	O=C(O)C(N)Cc2c1cccc(Cl)c1nc2
InChi:	InChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1
Definition date:	2005-08-31
Last modified:	2024-09-27
Identifier:	7-chloro-L-tryptophan

CTH

CTH
Name:	4-CHLOROTHREONINE
Formula:	C4 H8 Cl N O3
SMILES:	O=C(O)C(N)C(O)CCl
InChi:	InChI=1S/C4H8ClNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-chloro-L-threonine

CTI

CTI
Name:	1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Formula:	C21 H18 N O4
SMILES:	O1c3c(OC1)cc2ccc4c5c(c[n+](c4c2c3)C)c(OC)c(OC)cc5
InChi:	InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
Synonyms:	chelerythrine
Definition date:	2010-12-21
Last modified:	2024-09-27
Identifier:	1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium

CTJ

CTJ
Name:	1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium
Formula:	C22 H25 N6 O7 S2
SMILES:	O=C(O)C(ON=C(c1nc(sc1)N)C(=O)NC(C=O)C2SCC(=C(N2)C(=O)O)C[n+]3ccccc3)(C)C
InChi:	InChI=1S/C22H24N6O7S2/c1-22(2,20(33)34)35-27-16(14-11-37-21(23)25-14)17(30)24-13(9-29)18-26-15(19(31)32)12(10-36-18)8-28-6-4-3-5-7-28/h3-7,9,11,13,18,26H,8,10H2,1-2H3,(H4-,23,24,25,30,31,32,33,34)/p+1/b27-16-/t13-,18-/m1/s1
Definition date:	2010-10-12
Last modified:	2024-09-27
Identifier:	1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium

CUD

CUD
Name:	3-(4-amino-2-oxopyrimidin-1(2H)-yl)-D-alanine
Formula:	C7 H10 N4 O3
SMILES:	O=C1N=C(C=CN1CC(C(=O)O)N)N
InChi:	InChI=1S/C7H10N4O3/c8-4(6(12)13)3-11-2-1-5(9)10-7(11)14/h1-2,4H,3,8H2,(H,12,13)(H2,9,10,14)/t4-/m1/s1
Definition date:	2008-02-12
Last modified:	2024-09-27
Identifier:	3-(4-amino-2-oxopyrimidin-1(2H)-yl)-D-alanine

CUW

CUW
Name:	(2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid
Formula:	C6 H14 N2 O3
SMILES:	NCCC[CH](O)[CH](N)C(O)=O
InChi:	InChI=1S/C6H14N2O3/c7-3-1-2-4(9)5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
Synonyms:	3-hydroxy-L-lysine
Definition date:	2017-12-05
Last modified:	2024-09-27
Release date:	2018-11-14
Identifier:	(2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid

CUX

CUX
Name:	2-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-[(~{R})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal
Formula:	C19 H19 Cl N4 O5
SMILES:	O[CH]1[CH](O)[CH](O[CH]1[CH](O)c2ccc(Cl)cc2)n3ccc4c(NCC=O)ncnc34
InChi:	InChI=1S/C19H19ClN4O5/c20-11-3-1-10(2-4-11)13(26)16-14(27)15(28)19(29-16)24-7-5-12-17(21-6-8-25)22-9-23-18(12)24/h1-5,7-9,13-16,19,26-28H,6H2,(H,21,22,23)/t13-,14+,15-,16-,19-/m1/s1
Definition date:	2019-05-16
Last modified:	2024-09-27
Release date:	2019-06-19
Identifier:	2-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-[(~{R})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal

CVB

CVB
Name:	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID
Formula:	C9 H9 B O4
SMILES:	O=C(O)C=Cc1ccc(B(O)O)cc1
InChi:	InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
Definition date:	2001-11-20
Last modified:	2024-09-27
Identifier:	(2E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid

CVE

CVE
Name:	(3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid
Formula:	C27 H27 N7 O7
SMILES:	C[CH](N1C(=O)N(C)C=C(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)C1=O)C(=O)N[CH](CO)CC(O)=O
InChi:	InChI=1S/C27H27N7O7/c1-15(24(38)30-18(14-35)11-23(36)37)34-26(40)21(13-33(2)27(34)41)32-25(39)16-7-9-17(10-8-16)29-22-12-28-19-5-3-4-6-20(19)31-22/h3-10,12-13,15,18,35H,11,14H2,1-2H3,(H,29,31)(H,30,38)(H,32,39)(H,36,37)/t15-,18+/m1/s1
Definition date:	2017-12-07
Last modified:	2024-09-27
Release date:	2018-05-02
Identifier:	(3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid

CVX

CVX
Name:	O-BUTLYLMETHYLPHOSPHONIC ACID ESTER GROUP
Formula:	C5 H13 O3 P
SMILES:	O=P(O)(OCCCC)C
InChi:	InChI=1S/C5H13O3P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3,(H,6,7)
Definition date:	2010-09-02
Last modified:	2024-09-27
Identifier:	butyl hydrogen (R)-methylphosphonate

CW2

CW2
Name:	N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)
Formula:	C12 H20 Cl4 N2 O2
SMILES:	C(Cl)(C(=O)NCCCCCCCCNC(=O)C(Cl)Cl)Cl
InChi:	InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)
Definition date:	2017-09-14
Last modified:	2024-09-27
Release date:	2018-01-10
Identifier:	N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)

CW8

CW8
Name:	(2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile
Formula:	C13 H20 F N3 O
SMILES:	FC1CC(C#N)N(C1)C(=O)C(N)C1CCCCC1
InChi:	InChI=1S/C13H20FN3O/c14-10-6-11(7-15)17(8-10)13(18)12(16)9-4-2-1-3-5-9/h9-12H,1-6,8,16H2/t10-,11-,12-/m0/s1
Definition date:	2021-11-23
Last modified:	2024-09-27
Release date:	2022-10-05
Identifier:	(2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile

CWR

CWR
Name:	(4-methyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl)acetic acid
Formula:	C6 H8 N2 O3
SMILES:	O=C1C(=NCN1CC(=O)O)C
InChi:	InChI=1S/C6H8N2O3/c1-4-6(11)8(3-7-4)2-5(9)10/h2-3H2,1H3,(H,9,10)
Synonyms:	(ALA-SER-GLY) CHROMOPHORE
Definition date:	2006-02-24
Last modified:	2024-09-27
Identifier:	(4-methyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl)acetic acid

CWV

CWV
Name:	[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid
Formula:	C15 H13 B N2 O2
SMILES:	B(O)(O)c3cccc(c2cc1ccnc(N)c1cc2)c3
InChi:	InChI=1S/C15H13BN2O2/c17-15-14-5-4-11(8-12(14)6-7-18-15)10-2-1-3-13(9-10)16(19)20/h1-9,19-20H,(H2,17,18)
Definition date:	2017-10-05
Last modified:	2024-09-27
Release date:	2018-03-21
Identifier:	[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid

CX2

CX2
Name:	2'-deoxy-5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine
Formula:	C11 H19 N4 O6 P S
SMILES:	O=P(O)(OCC2OC(N1C(=O)N=C(N)C=C1)CC2O)NCCS
InChi:	InChI=1S/C11H19N4O6PS/c12-9-1-3-15(11(17)14-9)10-5-7(16)8(21-10)6-20-22(18,19)13-2-4-23/h1,3,7-8,10,16,23H,2,4-6H2,(H2,12,14,17)(H2,13,18,19)/t7-,8+,10+/m0/s1
Definition date:	2009-10-01
Last modified:	2024-09-27
Identifier:	2'-deoxy-5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine

CXM

CXM
Name:	N-CARBOXYMETHIONINE
Formula:	C6 H11 N O4 S
SMILES:	O=C(O)NC(C(=O)O)CCSC
InChi:	InChI=1S/C6H11NO4S/c1-12-3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-carboxy-L-methionine

CXP

CXP
Name:	CYCLOHEXANE PROPIONIC ACID
Formula:	C9 H16 O2
SMILES:	O=C(O)CCC1CCCCC1
InChi:	InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-cyclohexylpropanoic acid

CXU

CXU
Name:	CLOXACILLIN (OPEN FORM)
Formula:	C19 H20 Cl N3 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2Cl)C
InChi:	InChI=1S/C19H20ClN3O5S/c1-9-13(14(23-28-9)10-6-4-5-7-11(10)20)16(25)21-12(8-24)17-22-15(18(26)27)19(2,3)29-17/h4-8,12,15,17,22H,1-3H3,(H,21,25)(H,26,27)/t12-,15+,17-/m1/s1
Synonyms:	(2R,4S)-2-[(1R)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Definition date:	2011-08-16
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1R)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

CXV

CXV
Name:	(2R,4S)-2-[(1S)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolid ine-4-carboxylic acid
Formula:	C19 H20 Cl N3 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2Cl)C
InChi:	InChI=1S/C19H20ClN3O5S/c1-9-13(14(23-28-9)10-6-4-5-7-11(10)20)16(25)21-12(8-24)17-22-15(18(26)27)19(2,3)29-17/h4-8,12,15,17,22H,1-3H3,(H,21,25)(H,26,27)/t12-,15-,17+/m0/s1
Synonyms:	CLOXACILLIN open form (1R form)
Definition date:	2011-08-17
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1S)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

CY0

CY0
Name:	S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE
Formula:	C20 H21 N5 O3 S
SMILES:	O=C(O)C(N)CSCCC(=O)Nc3cc1c(ncnc1Nc2ccccc2)cc3
InChi:	InChI=1S/C20H21N5O3S/c21-16(20(27)28)11-29-9-8-18(26)24-14-6-7-17-15(10-14)19(23-12-22-17)25-13-4-2-1-3-5-13/h1-7,10,12,16H,8-9,11,21H2,(H,24,26)(H,27,28)(H,22,23,25)/t16-/m0/s1
Definition date:	2006-09-14
Last modified:	2024-09-27
Identifier:	S-(3-oxo-3-{[4-(phenylamino)quinazolin-6-yl]amino}propyl)-L-cysteine

CY1

CY1
Name:	ACETAMIDOMETHYLCYSTEINE
Formula:	C6 H12 N2 O3 S
SMILES:	O=C(NCSCC(C(=O)O)N)C
InChi:	InChI=1S/C6H12N2O3S/c1-4(9)8-3-12-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
Definition date:	1999-10-12
Last modified:	2024-09-27
Identifier:	S-[(acetylamino)methyl]-L-cysteine

CY3

CY3
Name:	2-AMINO-3-MERCAPTO-PROPIONAMIDE
Formula:	C3 H8 N2 O S
SMILES:	O=C(N)C(N)CS
InChi:	InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1
Definition date:	1999-10-22
Last modified:	2024-09-27
Identifier:	L-cysteinamide

CY4

CY4
Name:	S-BUTYRYL-CYSTEIN
Formula:	C7 H13 N O3 S
SMILES:	O=C(O)C(N)CSC(=O)CCC
InChi:	InChI=1S/C7H13NO3S/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
Definition date:	2002-07-10
Last modified:	2024-09-27
Identifier:	S-butanoyl-L-cysteine

CY6

CY6
Name:	N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
Formula:	C29 H42 N4 O7
SMILES:	O=C(NC(C(=O)CC(C(=O)NC(C=CC(=O)OCC)CC1C(=O)NCC1)CC=C(/C)C)C(C)C)c2noc(c2)C
InChi:	InChI=1S/C29H42N4O7/c1-7-39-25(35)11-10-22(15-21-12-13-30-27(21)36)31-28(37)20(9-8-17(2)3)16-24(34)26(18(4)5)32-29(38)23-14-19(6)40-33-23/h8,10-11,14,18,20-22,26H,7,9,12-13,15-16H2,1-6H3,(H,30,36)(H,31,37)(H,32,38)/b11-10+/t20-,21+,22-,26+/m1/s1
Definition date:	2005-09-14
Last modified:	2024-09-27
Identifier:	ethyl (2E,4S)-4-{[(2R,5S)-6-methyl-2-(3-methylbut-2-en-1-yl)-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

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