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RXL

RXL
Name:	Dehydrovaline
Formula:	C5 H9 N O2
SMILES:	CC(C)=C(N)C(O)=O
InChi:	InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8)
Synonyms:	2-azanyl-3-methyl-but-2-enoic acid
Definition date:	2022-12-09
Last modified:	2024-09-27
Release date:	2023-01-18
Identifier:	2-azanyl-3-methyl-but-2-enoic acid

RXR

RXR
Name:	[2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-yl]oxidanyl radical
Formula:	C10 H18 N O S2
SMILES:	ON1C(C(=C(CS)C1(C)C)CS)(C)C
InChi:	InChI=1S/C10H19NOS2/c1-9(2)7(5-13)8(6-14)10(3,4)11(9)12/h12-14H,5-6H2,1-4H3
Synonyms:	3,4-bis(thiomethyl)-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxyl radical
Definition date:	2010-01-08
Last modified:	2024-09-27
Identifier:	2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-ol

RXW

RXW
Name:	(5-methyl-1H-indazol-6-yl)boronic acid
Formula:	C8 H9 B N2 O2
SMILES:	Cc1cc2cn[nH]c2cc1B(O)O
InChi:	InChI=1S/C8H9BN2O2/c1-5-2-6-4-10-11-8(6)3-7(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
Synonyms:	5-Methyl-1H-indazole-6-boronic acid
Definition date:	2020-10-31
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	(5-methyl-1~{H}-indazol-6-yl)boronic acid

RY2

RY2
Name:	(3-(1H-tetrazol-5-yl)phenyl)boronic acid
Formula:	C7 H7 B N4 O2
SMILES:	OB(O)c1cccc(c1)c2n[nH]nn2
InChi:	InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)
Synonyms:	[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid
Definition date:	2020-10-31
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid

7IB

7IB
Name:	8-azanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)quinoline-2-carboxylic acid
Formula:	C14 H14 N2 O4
SMILES:	Nc1ccc(CCCC(O)=O)c2ccc(nc12)C(O)=O
InChi:	InChI=1S/C14H14N2O4/c15-10-6-4-8(2-1-3-12(17)18)9-5-7-11(14(19)20)16-13(9)10/h4-7H,1-3,15H2,(H,17,18)(H,19,20)
Definition date:	2021-08-05
Last modified:	2024-09-27
Release date:	2022-07-13
Identifier:	8-azanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)quinoline-2-carboxylic acid

7ID

7ID
Name:	(2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid
Formula:	C10 H19 N5 O5
SMILES:	O=C(NC(CCCNC(=N)N)C(=O)O)CC(N)C(=O)O
InChi:	InChI=1S/C10H19N5O5/c11-5(8(17)18)4-7(16)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
Definition date:	2021-08-11
Last modified:	2024-09-27
Release date:	2021-08-18
Identifier:	L-beta-aspartyl-L-arginine

7IF

7IF
Name:	N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
Formula:	C20 H23 F3 N6 O3
SMILES:	COCCNc1cc(NC(=O)N2CCCc3ccc(nc23)C(=O)C(F)(F)F)ncc1CN
InChi:	InChI=1S/C20H23F3N6O3/c1-32-8-6-25-15-9-16(26-11-13(15)10-24)28-19(31)29-7-2-3-12-4-5-14(27-18(12)29)17(30)20(21,22)23/h4-5,9,11H,2-3,6-8,10,24H2,1H3,(H2,25,26,28,31)
Definition date:	2021-10-05
Last modified:	2024-09-27
Release date:	2022-02-23
Identifier:	~{N}-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide

7IM

7IM
Name:	N-[(2S)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-L-threonyl-N-[(3S,4S)-1,3-dihydroxy-6-methylheptan-4-yl]-L-allothreoninamide
Formula:	C29 H46 N4 O10
SMILES:	O=C(NC(CC(C)C)C(O)CCO)C(NC(=O)C(NC(=O)C(C(=O)NC(C(=O)O)Cc1ccccc1)C)C(O)C)C(O)C
InChi:	InChI=1S/C29H46N4O10/c1-15(2)13-20(22(37)11-12-34)30-27(40)23(17(4)35)33-28(41)24(18(5)36)32-26(39)16(3)25(38)31-21(29(42)43)14-19-9-7-6-8-10-19/h6-10,15-18,20-24,34-37H,11-14H2,1-5H3,(H,30,40)(H,31,38)(H,32,39)(H,33,41)(H,42,43)/t16-,17+,18-,20+,21+,22+,23+,24+/m1/s1
Synonyms:	Macyranone-A
Definition date:	2015-02-10
Last modified:	2024-09-27
Release date:	2015-02-18
Identifier:	N-[(2S)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-L-threonyl-N-[(3S,4S)-1,3-dihydroxy-6-methylheptan-4-yl]-L-allothreoninamide

RYH

RYH
Name:	4-(4-aminocarbonylphenoxy)benzoic acid
Formula:	C14 H11 N O4
SMILES:	NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
InChi:	InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
Definition date:	2023-04-05
Last modified:	2024-09-27
Release date:	2023-04-12
Identifier:	4-(4-aminocarbonylphenoxy)benzoic acid

RZ4

RZ4
Name:	O-tert-butyl-L-serine
Formula:	C7 H15 N O3
SMILES:	O=C(O)C(N)COC(C)(C)C
InChi:	InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
Definition date:	2011-09-23
Last modified:	2024-09-27
Identifier:	O-tert-butyl-L-serine

7J8

7J8
Name:	3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid
Formula:	C40 H46 N4 O16
SMILES:	Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]cc(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O
InChi:	InChI=1S/C40H46N4O16/c1-18-23(10-37(53)54)20(3-7-34(47)48)28(42-18)15-31-26(13-40(59)60)22(5-9-36(51)52)30(44-31)16-32-25(12-39(57)58)21(4-8-35(49)50)29(43-32)14-27-24(11-38(55)56)19(17-41-27)2-6-33(45)46/h17,41-44H,2-16H2,1H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
Definition date:	2016-11-01
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid

7JZ

7JZ
Name:	2-deoxy-2,2-difluoro-beta-D-lyxo-hexopyranose
Formula:	C6 H10 F2 O5
SMILES:	FC1(F)C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C6H10F2O5/c7-6(8)4(11)3(10)2(1-9)13-5(6)12/h2-5,9-12H,1H2/t2-,3+,4+,5-/m1/s1
Synonyms:	2-DEOXY-2,2-DIFLUORO-BETA-D-GALACTOPYRANOSYL-ENZYME INTERMEDIATE
Definition date:	2009-05-19
Last modified:	2024-09-27
Identifier:	2-deoxy-2,2-difluoro-beta-D-lyxo-hexopyranose

RZZ

RZZ
Name:	1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid
Formula:	C8 H7 B O4
SMILES:	OB1OCc2ccc(cc12)C(O)=O
InChi:	InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)
Synonyms:	1-methyl-3H-2,1-benzoxaborole-6-carboxylic acid
Definition date:	2020-11-04
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	1-oxidanyl-3~{H}-2,1-benzoxaborole-6-carboxylic acid

7K8

7K8
Name:	[(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C9 H16 N3 O8 P
SMILES:	ON=C1CCN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1
InChi:	InChI=1S/C9H16N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h5-6,8,13,15H,1-4H2,(H,10,11,14)(H2,16,17,18)/t5-,6+,8+/m0/s1
Definition date:	2016-11-03
Last modified:	2024-09-27
Release date:	2017-12-20
Identifier:	[(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

S08

S08
Name:	2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
Formula:	C18 H17 B N2 O6
SMILES:	NC(=O)[CH](NC(=O)c1ccc2[CH](CC(O)=O)OB(O)c2c1)c3ccccc3
InChi:	InChI=1S/C18H17BN2O6/c20-17(24)16(10-4-2-1-3-5-10)21-18(25)11-6-7-12-13(8-11)19(26)27-14(12)9-15(22)23/h1-8,14,16,26H,9H2,(H2,20,24)(H,21,25)(H,22,23)/t14-,16+/m0/s1
Synonyms:	2-[(3S)-6-[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid
Definition date:	2020-11-04
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	2-[(3~{S})-6-[[(1~{R})-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid

7KH

7KH
Name:	~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
Formula:	C21 H26 N8 O
SMILES:	N=Cc1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5
InChi:	InChI=1S/C21H26N8O/c22-13-18-24-20(27-9-11-30-12-10-27)26-21(25-18)29(17-5-1-2-6-17)15-16-14-28-8-4-3-7-19(28)23-16/h3-4,7-8,13-14,17,22H,1-2,5-6,9-12,15H2/b22-13+
Definition date:	2016-11-04
Last modified:	2024-09-27
Release date:	2017-01-11
Identifier:	~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

7KN

7KN
Name:	[4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide
Formula:	C18 H23 N8 O
SMILES:	[N-]=Cc1nc(nc(n1)N(Cc2cnccn2)C3CCCC3)N4CCOCC4
InChi:	InChI=1S/C18H23N8O/c19-11-16-22-17(25-7-9-27-10-8-25)24-18(23-16)26(15-3-1-2-4-15)13-14-12-20-5-6-21-14/h5-6,11-12,15H,1-4,7-10,13H2/q-1
Definition date:	2016-11-04
Last modified:	2024-09-27
Release date:	2017-01-11
Identifier:	[4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide

SFW

SFW
Name:	1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole
Formula:	C17 H13 F3 N2
SMILES:	Cc1ccc(n2ccnc2c3ccccc3)c(c1)C(F)(F)F
InChi:	InChI=1S/C17H13F3N2/c1-12-7-8-15(14(11-12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3
Definition date:	2020-11-16
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole

7KU

7KU
Name:	1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
Formula:	C14 H19 N5 O
SMILES:	n3c2ncnc(NC1CCCN(C1)C(CC)=O)c2cc3
InChi:	InChI=1S/C14H19N5O/c1-2-12(20)19-7-3-4-10(8-19)18-14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,2-4,7-8H2,1H3,(H2,15,16,17,18)/t10-/m1/s1
Definition date:	2016-11-07
Last modified:	2024-09-27
Release date:	2017-02-22
Identifier:	1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one

7KV

7KV
Name:	1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one
Formula:	C16 H21 N5 O
SMILES:	n2c1ncnc(c1cc2)N3CCC4C3CN(C(=O)CC)CC4
InChi:	InChI=1S/C16H21N5O/c1-2-14(22)20-7-4-11-5-8-21(13(11)9-20)16-12-3-6-17-15(12)18-10-19-16/h3,6,10-11,13H,2,4-5,7-9H2,1H3,(H,17,18,19)/t11-,13-/m0/s1
Definition date:	2016-11-07
Last modified:	2024-09-27
Release date:	2017-02-22
Identifier:	1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one

SGB

SGB
Name:	O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE
Formula:	C7 H16 N O5 P
SMILES:	O=P(OCC(N)C(=O)O)(OC(C)C)C
InChi:	InChI=1S/C7H16NO5P/c1-5(2)13-14(3,11)12-4-6(8)7(9)10/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-,14-/m0/s1
Definition date:	2007-02-13
Last modified:	2024-09-27
Identifier:	O-[(S)-methyl(1-methylethoxy)phosphoryl]-L-serine

SGE

SGE
Name:	13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine
Formula:	C20 H15 N O4
SMILES:	CN1Cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14
InChi:	InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3
Definition date:	2010-02-21
Last modified:	2024-09-27

SGH

SGH
Name:	1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole
Formula:	C17 H13 F3 N2
SMILES:	Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H13F3N2/c1-12-7-8-14(11-15(12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3
Definition date:	2020-11-16
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole

SGK

SGK
Name:	2-(pyridin-2-ylmethylamino)ethanoic acid
Formula:	C8 H10 N2 O2
SMILES:	OC(=O)CNCc1ccccn1
InChi:	InChI=1S/C8H10N2O2/c11-8(12)6-9-5-7-3-1-2-4-10-7/h1-4,9H,5-6H2,(H,11,12)
Definition date:	2020-11-16
Last modified:	2024-09-27
Release date:	2021-12-01
Identifier:	2-(pyridin-2-ylmethylamino)ethanoic acid

SGL

SGL
Name:	1-HYDROXY-1-THIO-GLYCEROL
Formula:	C3 H8 O3 S
SMILES:	OCC(O)CSO
InChi:	InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2,3-dihydroxypropane-1-sulfenic acid

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