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V1K

V1K
Name:	2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole
Formula:	C15 H13 Cl N2 O3 S
SMILES:	COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3
InChi:	InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3
Definition date:	2021-04-06
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole

V1Q

V1Q
Name:	4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide
Formula:	C11 H13 N3 O2 S
SMILES:	Cn1ccc(N[S](=O)(=O)c2ccc(C)cc2)n1
InChi:	InChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-14(2)12-11/h3-8H,1-2H3,(H,12,13)
Definition date:	2021-04-06
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide

6CG

6CG
Name:	5'-S-phosphono-5'-thioguanosine
Formula:	C10 H14 N5 O7 P S
SMILES:	C=2(Nc1n(cnc1C(N=2)=O)C3C(C(C(CSP(O)(O)=O)O3)O)O)N
InChi:	InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-24-23(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Synonyms:	TrpGMPS hydrolysis product
Definition date:	2016-03-10
Last modified:	2024-09-27
Release date:	2017-03-15
Identifier:	5'-S-phosphono-5'-thioguanosine

6CL

6CL
Name:	6-CARBOXYLYSINE
Formula:	C7 H15 N2 O4
SMILES:	O=C(O)C(CCCC(N)C(=O)O)[NH3+]
InChi:	InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/p+1/t4-,5+
Definition date:	2005-08-08
Last modified:	2024-09-27
Identifier:	(1R,5S)-5-amino-1,5-dicarboxypentan-1-aminium

6CN

6CN
Name:	6-cyanouridine 5'-phosphate
Formula:	C10 H12 N3 O9 P
SMILES:	N#CC=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1
Definition date:	2008-10-23
Last modified:	2024-09-27
Identifier:	6-cyanouridine 5'-(dihydrogen phosphate)

6CV

6CV
Name:	3-bromo-L-phenylalanine
Formula:	C9 H10 Br N O2
SMILES:	Brc1cccc(CC(N)C(O)=O)c1
InChi:	InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-03-15
Last modified:	2024-09-27
Release date:	2016-10-26
Identifier:	3-bromo-L-phenylalanine

6CW

6CW
Name:	6-CHLORO-L-TRYPTOPHAN
Formula:	C11 H11 Cl N2 O2
SMILES:	O=C(O)C(N)Cc2c1ccc(Cl)cc1nc2
InChi:	InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
Definition date:	2005-09-22
Last modified:	2024-09-27
Identifier:	6-chloro-L-tryptophan

V2E

V2E
Name:	3-morpholin-4-yl-4-nitro-benzaldehyde
Formula:	C11 H12 N2 O4
SMILES:	[O-][N+](=O)c1ccc(C=O)cc1N2CCOCC2
InChi:	InChI=1S/C11H12N2O4/c14-8-9-1-2-10(13(15)16)11(7-9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	3-morpholin-4-yl-4-nitro-benzaldehyde

6D6

6D6
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine
Formula:	C17 H28 N8 O5
SMILES:	C(CCN(CCC(C(O)=O)N)CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O)N
InChi:	InChI=1S/C17H28N8O5/c18-3-1-4-24(5-2-9(19)17(28)29)6-10-12(26)13(27)16(30-10)25-8-23-11-14(20)21-7-22-15(11)25/h7-10,12-13,16,26-27H,1-6,18-19H2,(H,28,29)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2016-03-16
Last modified:	2024-09-27
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine

V2K

V2K
Name:	4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
Formula:	C16 H14 N2 O2
SMILES:	COc1ccc2n(c(C)nc2c1)c3ccc(C=O)cc3
InChi:	InChI=1S/C16H14N2O2/c1-11-17-15-9-14(20-2)7-8-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde

V2M

V2M
Name:	N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:	C24 H34 N4 O6
SMILES:	COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)CO
InChi:	InChI=1S/C24H34N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,20,26,29-30H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-,20+/m0/s1
Synonyms:	N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, bound form
Definition date:	2020-06-19
Last modified:	2024-09-27
Release date:	2020-07-08
Identifier:	N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

V2N

V2N
Name:	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
Formula:	C16 H14 N2 O2
SMILES:	COc1ccc2nc(C)n(c3ccc(C=O)cc3)c2c1
InChi:	InChI=1S/C16H14N2O2/c1-11-17-15-8-7-14(20-2)9-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde

V2Q

V2Q
Name:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
Formula:	C12 H13 N O3
SMILES:	COC1CN(C1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde

V2T

V2T
Name:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide
Formula:	C12 H11 N3 O2
SMILES:	Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1
InChi:	InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17)
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide

V2X

V2X
Name:	(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide
Formula:	C13 H16 N2 O2
SMILES:	CC(=O)NNC(=O)[CH]1C[CH]1c2cccc(C)c2
InChi:	InChI=1S/C13H16N2O2/c1-8-4-3-5-10(6-8)11-7-12(11)13(17)15-14-9(2)16/h3-6,11-12H,7H2,1-2H3,(H,14,16)(H,15,17)/t11-,12+/m1/s1
Definition date:	2023-02-21
Last modified:	2024-09-27
Release date:	2023-11-15
Identifier:	(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide

6DN

6DN
Name:	(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
Formula:	C8 H16 N2 O4
SMILES:	N[CH](CCCCNCC(O)=O)C(O)=O
InChi:	InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1
Definition date:	2016-03-30
Last modified:	2024-09-27
Release date:	2017-10-11
Identifier:	(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid

V32

V32
Name:	4-morpholin-4-ylcarbonylbenzaldehyde
Formula:	C12 H13 N O3
SMILES:	O=Cc1ccc(cc1)C(=O)N2CCOCC2
InChi:	InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-morpholin-4-ylcarbonylbenzaldehyde

V34

V34
Name:	ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Formula:	C27 H36 N4 O6
SMILES:	CCOC(=O)[C@H]=[C@H]C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)c3cc2c(OC)cccc2n3
InChi:	InChI=1S/C27H36N4O6/c1-5-37-24(32)10-9-18(14-17-11-12-28-25(17)33)29-26(34)21(13-16(2)3)31-27(35)22-15-19-20(30-22)7-6-8-23(19)36-4/h6-10,15-18,21,30H,5,11-14H2,1-4H3,(H,28,33)(H,29,34)(H,31,35)/b10-9+/t17-,18+,21-/m0/s1
Definition date:	2020-06-19
Last modified:	2024-09-27
Release date:	2020-07-08
Identifier:	ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

V35

V35
Name:	D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
Formula:	C10 H14 B Cl N O4
SMILES:	Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O
InChi:	InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m1/s1
Synonyms:	D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-)

V36

V36
Name:	L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
Formula:	C10 H14 B Cl N O4
SMILES:	Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O
InChi:	InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m0/s1
Synonyms:	L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-)

6DU

6DU
Name:	2-bromo-L-phenylalanine
Formula:	C9 H10 Br N O2
SMILES:	O=C(C(N)Cc1c(Br)cccc1)O
InChi:	InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-03-17
Last modified:	2024-09-27
Release date:	2016-10-26
Identifier:	2-bromo-L-phenylalanine

V3B

V3B
Name:	4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide
Formula:	C15 H19 N3 O3
SMILES:	CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C15H19N3O3/c1-16(2)15(21)18-9-7-17(8-10-18)14(20)13-5-3-12(11-19)4-6-13/h3-6,11H,7-10H2,1-2H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide

V3D

V3D
Name:	(3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate
Formula:	C32 H35 N5 O7
SMILES:	COc1cccc2c1cc(n2)C(NC(C(=O)NC(C(=O)COC(c3ccccc3C#N)=O)CC4CCNC4=O)CC(C)C)=O
InChi:	InChI=1S/C32H35N5O7/c1-18(2)13-25(37-31(41)26-15-22-23(35-26)9-6-10-28(22)43-3)30(40)36-24(14-19-11-12-34-29(19)39)27(38)17-44-32(42)21-8-5-4-7-20(21)16-33/h4-10,15,18-19,24-25,35H,11-14,17H2,1-3H3,(H,34,39)(H,36,40)(H,37,41)/t19-,24-,25-/m0/s1
Definition date:	2020-06-19
Last modified:	2024-09-27
Release date:	2020-07-08
Identifier:	(3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate

6E3

6E3
Name:	2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
Formula:	C10 H12 N2 O2
SMILES:	O=C1C(=C(C)N2N1C(C(C)=C2C)=O)C
InChi:	InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3
Definition date:	2016-03-19
Last modified:	2024-09-27
Release date:	2017-03-29
Identifier:	2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione

6E4

6E4
Name:	L-glutamamide
Formula:	C5 H11 N3 O2
SMILES:	NC(CCC(N)C(N)=O)=O
InChi:	InChI=1S/C5H11N3O2/c6-3(5(8)10)1-2-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10)/t3-/m0/s1
Definition date:	2016-03-21
Last modified:	2024-09-27
Release date:	2016-04-06
Identifier:	L-glutamamide

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