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GWK

GWK
Name:	(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
Formula:	C32 H52 N4 O7
SMILES:	COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CC[CH](C)CC3)[CH](O)C(C)(C)O)cc1
InChi:	InChI=1S/C32H52N4O7/c1-21-6-8-23(9-7-21)18-26(29(38)32(3,4)41)34-31(40)27(19-24-10-12-25(42-5)13-11-24)35-30(39)22(2)33-28(37)20-36-14-16-43-17-15-36/h10-13,21-23,26-27,29,38,41H,6-9,14-20H2,1-5H3,(H,33,37)(H,34,40)(H,35,39)/t21-,22-,23-,26-,27-,29+/m0/s1
Definition date:	2018-10-11
Last modified:	2024-09-27
Release date:	2019-01-30
Identifier:	(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide

GWT

GWT
Name:	(2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide
Formula:	C37 H61 N4 O7
SMILES:	COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)C[NH+]2CCOCC2)C(=O)N[CH](C[CH]3CC[CH](CC3)C4CCCCC4)[CH](O)C(C)(C)O)cc1
InChi:	InChI=1S/C37H60N4O7/c1-25(38-33(42)24-41-18-20-48-21-19-41)35(44)40-32(23-27-12-16-30(47-4)17-13-27)36(45)39-31(34(43)37(2,3)46)22-26-10-14-29(15-11-26)28-8-6-5-7-9-28/h12-13,16-17,25-26,28-29,31-32,34,43,46H,5-11,14-15,18-24H2,1-4H3,(H,38,42)(H,39,45)(H,40,44)/p+1/t25-,26-,29-,31-,32-,34+/m0/s1
Definition date:	2018-10-12
Last modified:	2024-09-27
Release date:	2019-01-30
Identifier:	(2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide

GWZ

GWZ
Name:	(2~{S})-~{N}-[(2~{S})-1-[[(3~{R},4~{S})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide
Formula:	C40 H61 N5 O7
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)NC(=O)[CH](CCc2ccccc2)NC(=O)CN3CCOCC3)[CH](O)C(C)(C)O
InChi:	InChI=1S/C40H61N5O7/c1-27(2)23-32(36(47)40(5,6)51)42-39(50)34(25-30-15-11-8-12-16-30)44-38(49)33(24-28(3)4)43-37(48)31(18-17-29-13-9-7-10-14-29)41-35(46)26-45-19-21-52-22-20-45/h7-16,27-28,31-34,36,47,51H,17-26H2,1-6H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,36+/m0/s1
Definition date:	2018-10-12
Last modified:	2024-09-27
Release date:	2019-01-30
Identifier:	(2~{S})-~{N}-[(2~{S})-1-[[(3~{R},4~{S})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide

GX1

GX1
Name:	2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
Formula:	C12 H19 N6 O6 P S
SMILES:	O=P(O)(OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O)NCCS
InChi:	InChI=1S/C12H19N6O6PS/c13-12-16-10-9(11(20)17-12)14-5-18(10)8-3-6(19)7(24-8)4-23-25(21,22)15-1-2-26/h5-8,19,26H,1-4H2,(H2,15,21,22)(H3,13,16,17,20)/t6-,7+,8+/m0/s1
Definition date:	2009-09-09
Last modified:	2024-09-27
Identifier:	2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine

GXP

GXP
Name:	(4S)-4-hydroxy-2,5-dioxopentanoic acid
Formula:	C5 H6 O5
SMILES:	O=CC(O)CC(=O)C(=O)O
InChi:	InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)/t3-/m0/s1
Definition date:	2014-01-16
Last modified:	2024-09-27
Release date:	2014-12-24
Identifier:	(4S)-4-hydroxy-2,5-dioxopentanoic acid

GXS

GXS
Name:	(4R)-4-hydroxy-2,5-dioxopentanoic acid
Formula:	C5 H6 O5
SMILES:	O=CC(O)CC(=O)C(=O)O
InChi:	InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)/t3-/m1/s1
Definition date:	2014-01-16
Last modified:	2024-09-27
Release date:	2014-12-24
Identifier:	(4R)-4-hydroxy-2,5-dioxopentanoic acid

GYC

GYC
Name:	[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C14 H15 N3 O4 S
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)CS)=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H15N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-5,10,18,22H,6-7,15H2,(H,19,20)/b11-5-/t10-/m0/s1
Synonyms:	CHROMOPHORE (CYS-TYR-GLY)
Definition date:	2006-05-30
Last modified:	2024-09-27
Identifier:	[(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

GYL

GYL
Name:	N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide
Formula:	C18 H17 Cl F N5 O
SMILES:	c3(Cl)c(CNc2nc(c1cc(NC(CC)=O)ccc1)nn2)c(ccc3)F
InChi:	InChI=1S/C18H17ClFN5O/c1-2-16(26)22-12-6-3-5-11(9-12)17-23-18(25-24-17)21-10-13-14(19)7-4-8-15(13)20/h3-9H,2,10H2,1H3,(H,22,26)(H2,21,23,24,25)
Definition date:	2016-03-24
Last modified:	2024-09-27
Release date:	2018-05-23
Identifier:	N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide

GYS

GYS
Name:	[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C14 H15 N3 O5
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)CO)=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H15N3O5/c15-10(7-18)13-16-11(14(22)17(13)6-12(20)21)5-8-1-3-9(19)4-2-8/h1-5,10,18-19H,6-7,15H2,(H,20,21)/b11-5-/t10-/m0/s1
Synonyms:	CHROMOPHORE (SER-TYR-GLY)
Definition date:	2006-05-30
Last modified:	2024-09-27
Identifier:	[(4Z)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

GZB

GZB
Name:	2-benzamidoethanoic acid
Formula:	C9 H9 N O3
SMILES:	OC(=O)CNC(=O)c1ccccc1
InChi:	InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
Definition date:	2017-07-22
Last modified:	2024-09-27
Release date:	2017-11-29
Identifier:	2-benzamidoethanoic acid

GZJ

GZJ
Name:	(2S)-2-(acetylamino)butanoic acid
Formula:	C6 H11 N O3
SMILES:	CC(NC(C(=O)O)CC)=O
InChi:	InChI=1S/C6H11NO3/c1-3-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
Definition date:	2018-06-06
Last modified:	2024-09-27
Release date:	2019-04-17
Identifier:	(2S)-2-(acetylamino)butanoic acid

GZS

GZS
Name:	4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid
Formula:	C16 H17 N O5 S
SMILES:	OC(=O)CCCN[S](=O)(=O)c1ccc(Oc2ccccc2)cc1
InChi:	InChI=1S/C16H17NO5S/c18-16(19)7-4-12-17-23(20,21)15-10-8-14(9-11-15)22-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2,(H,18,19)
Definition date:	2022-05-18
Last modified:	2024-09-27
Release date:	2022-06-29
Identifier:	4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid

GZY

GZY
Name:	1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one
Formula:	C13 H17 N O2
SMILES:	C1C(N(C(=O)C)CC1)c2cccc(c2)OC
InChi:	InChI=1S/C13H17NO2/c1-10(15)14-8-4-7-13(14)11-5-3-6-12(9-11)16-2/h3,5-6,9,13H,4,7-8H2,1-2H3/t13-/m0/s1
Definition date:	2018-06-08
Last modified:	2024-09-27
Release date:	2019-03-27
Identifier:	1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one

H00

H00
Name:	4-sulfanylbutanoic acid
Formula:	C4 H8 O2 S
SMILES:	C(C(=O)O)CCS
InChi:	InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)
Definition date:	2017-08-15
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	4-sulfanylbutanoic acid

H0A

H0A
Name:	1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one
Formula:	C15 H19 N O2
SMILES:	c1(ccc(cc1)OC)C2N(CCC=CC2)C(=O)C
InChi:	InChI=1S/C15H19NO2/c1-12(17)16-11-5-3-4-6-15(16)13-7-9-14(18-2)10-8-13/h3-4,7-10,15H,5-6,11H2,1-2H3/t15-/m0/s1
Definition date:	2018-06-08
Last modified:	2024-09-27
Release date:	2019-03-27
Identifier:	1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one

H0E

H0E
Name:	(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
Formula:	C24 H29 N3 O4 S
SMILES:	O=S(=O)(c3ccc2N1C(=NCC(C)(C)C1)C(O)c2c3)N5C(COc4ccccc4)CCC5
InChi:	InChI=1S/C24H29N3O4S/c1-24(2)15-25-23-22(28)20-13-19(10-11-21(20)26(23)16-24)32(29,30)27-12-6-7-17(27)14-31-18-8-4-3-5-9-18/h3-5,8-11,13,17,22,28H,6-7,12,14-16H2,1-2H3/t17-,22-/m0/s1
Definition date:	2009-04-10
Last modified:	2024-09-27
Identifier:	(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol

H0F

H0F
Name:	2-[(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]ethanamide
Formula:	C13 H25 N3 O2
SMILES:	CC[CH](C)[CH](NC)C(=O)N1CCC[CH]1CC(N)=O
InChi:	InChI=1S/C13H25N3O2/c1-4-9(2)12(15-3)13(18)16-7-5-6-10(16)8-11(14)17/h9-10,12,15H,4-8H2,1-3H3,(H2,14,17)/t9-,10-,12-/m0/s1
Definition date:	2022-05-18
Last modified:	2024-09-27
Release date:	2022-06-29
Identifier:	2-[(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]ethanamide

H0O

H0O
Name:	~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide
Formula:	C22 H23 N5 O
SMILES:	CCC(=O)Nc1ccc(cc1)n2nc(C)c(c2C)c3c(C)ccc4n[nH]cc34
InChi:	InChI=1S/C22H23N5O/c1-5-20(28)24-16-7-9-17(10-8-16)27-15(4)22(14(3)26-27)21-13(2)6-11-19-18(21)12-23-25-19/h6-12H,5H2,1-4H3,(H,23,25)(H,24,28)
Definition date:	2022-02-07
Last modified:	2024-09-27
Release date:	2022-04-27
Identifier:	~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide

H14

H14
Name:	(2S,3R)-BETA-HYDROXY-PHENYLALANINE
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(N)C(O)c1ccccc1
InChi:	InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1
Synonyms:	BETA-HYDROXY-PHENYLALANINE
Definition date:	2008-10-17
Last modified:	2024-09-27
Release date:	2012-12-21
Identifier:	(betaR)-beta-hydroxy-L-phenylalanine

H2T

H2T
Name:	1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
Formula:	C29 H30 Cl N7 O
SMILES:	CCC(=O)N1CC2(CC(C2)n3nc(c4ccc5n(C)ncc5c4)c(c3C)c6c(Cl)c(C)cc7[nH]ncc67)C1
InChi:	InChI=1S/C29H30ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h6-9,12-13,20H,5,10-11,14-15H2,1-4H3,(H,31,33)
Definition date:	2022-02-07
Last modified:	2024-09-27
Release date:	2022-04-27
Identifier:	1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one

H2U

H2U
Name:	5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE
Formula:	C9 H15 N2 O9 P
SMILES:	O=C1N(CCC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5'-uridylic acid

H37

H37
Name:	D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide
Formula:	C25 H33 Cl N6 O3
SMILES:	ClCC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N
InChi:	InChI=1S/C25H33ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20+,21+/m1/s1
Synonyms:	FFRCK
Definition date:	2010-11-09
Last modified:	2024-09-27
Identifier:	D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide

H3D

H3D
Name:	N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
Formula:	C15 H19 N O3
SMILES:	C3C(c1cc2c(cc1)OCCO2)(NC(=O)C)CCC3
InChi:	InChI=1S/C15H19NO3/c1-11(17)16-15(6-2-3-7-15)12-4-5-13-14(10-12)19-9-8-18-13/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
Definition date:	2018-06-11
Last modified:	2024-09-27
Release date:	2019-03-27
Identifier:	N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

H40

H40
Name:	~{N}-[4-[2-bromanyl-6-(2-hydroxyethylamino)pyridin-4-yl]sulfanylphenyl]propanamide
Formula:	C16 H18 Br N3 O2 S
SMILES:	Brc1cc(Sc2ccc(NC(=O)CC)cc2)cc(NCCO)n1
InChi:	InChI=1S/C16H18BrN3O2S/c1-2-16(22)19-11-3-5-12(6-4-11)23-13-9-14(17)20-15(10-13)18-7-8-21/h3-6,9-10,21H,2,7-8H2,1H3,(H,18,20)(H,19,22)
Definition date:	2022-02-07
Last modified:	2024-09-27
Release date:	2022-04-27
Identifier:	N-[4-({2-bromo-6-[(2-hydroxyethyl)amino]pyridin-4-yl}sulfanyl)phenyl]propanamide

H5D

H5D
Name:	2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide
Formula:	C20 H21 Cl N2 O2
SMILES:	N(c1cccc(c1)Cl)C(Cc3cc(C2CCCN2C(=O)C)ccc3)=O
InChi:	InChI=1S/C20H21ClN2O2/c1-14(24)23-10-4-9-19(23)16-6-2-5-15(11-16)12-20(25)22-18-8-3-7-17(21)13-18/h2-3,5-8,11,13,19H,4,9-10,12H2,1H3,(H,22,25)/t19-/m0/s1
Definition date:	2018-06-11
Last modified:	2024-09-27
Release date:	2019-03-27
Identifier:	2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide

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