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HJA

HJA
Name:	(2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid
Formula:	C14 H26 N2 O3 S
SMILES:	NCC(C(=O)S)NC(OCCCCC1CCCCC1)=O
InChi:	InChI=1S/C14H26N2O3S/c15-10-12(13(17)20)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10,15H2,(H,16,18)(H,17,20)/t12-/m0/s1
Definition date:	2018-07-03
Last modified:	2024-09-27
Release date:	2018-09-26
Identifier:	(2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid

HJY

HJY
Name:	4-iodo-N-methyl-D-phenylalanine
Formula:	C10 H12 I N O2
SMILES:	CNC(Cc1ccc(I)cc1)C(O)=O
InChi:	InChI=1S/C10H12INO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m1/s1
Definition date:	2018-07-09
Last modified:	2024-09-27
Release date:	2018-10-17
Identifier:	4-iodo-N-methyl-D-phenylalanine

HMG

HMG
Name:	3-HYDROXY-3-METHYLGLUTARYL-COENZYME A
Formula:	C27 H39 N7 O20 P3 S
SMILES:	[O-]C(=O)CC(O)(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP([O-])([O-])=O
InChi:	InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1
Synonyms:	(S)-HMG-COA
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name)

HNC

HNC
Name:	S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine
Formula:	C12 H23 N O4 S
SMILES:	O=C(O)C(N)CSC(C(O)CCCCC)CC=O
InChi:	InChI=1S/C12H23NO4S/c1-2-3-4-5-10(15)11(6-7-14)18-8-9(13)12(16)17/h7,9-11,15H,2-6,8,13H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1
Synonyms:	Cysteine covalently modified with 4-hydroxy-2-nonenal
Definition date:	2009-09-17
Last modified:	2024-09-27
Identifier:	S-[(3S,4R)-4-hydroxy-1-oxononan-3-yl]-L-cysteine

KXL

KXL
Name:	(2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide
Formula:	C22 H28 N4 O4
SMILES:	CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)[CH](O)CC(=O)NCCc2ccccn2
InChi:	InChI=1S/C22H28N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18-19,27H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1
Definition date:	2022-06-07
Last modified:	2024-09-27
Release date:	2023-11-29
Identifier:	(2~{S})-~{N}-[(2~{S})-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-~{N}'-(2-pyridin-2-ylethyl)butanediamide

HOO

HOO
Name:	(2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid
Formula:	C6 H7 N3 O4
SMILES:	N[CH](CC1=NC(=O)NC1=O)C(O)=O
InChi:	InChI=1S/C6H7N3O4/c7-2(5(11)12)1-3-4(10)9-6(13)8-3/h2H,1,7H2,(H,11,12)(H,9,10,13)/t2-/m0/s1
Definition date:	2018-06-07
Last modified:	2024-09-27
Release date:	2019-02-27
Identifier:	(2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid

HOX

HOX
Name:	4-amino-L-phenylalanine
Formula:	C9 H12 N2 O2
SMILES:	O=C(O)C(N)Cc1ccc(N)cc1
InChi:	InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
Definition date:	2009-08-25
Last modified:	2024-09-27
Identifier:	4-amino-L-phenylalanine

HP9

HP9
Name:	(2S)-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid
Formula:	C16 H12 F N O4
SMILES:	N[CH](Cc1ccc2Oc3ccc(F)cc3C(=O)c2c1)C(O)=O
InChi:	InChI=1S/C16H12FNO4/c17-9-2-4-14-11(7-9)15(19)10-5-8(1-3-13(10)22-14)6-12(18)16(20)21/h1-5,7,12H,6,18H2,(H,20,21)/t12-/m0/s1
Definition date:	2021-01-26
Last modified:	2024-09-27
Release date:	2022-07-27
Identifier:	(2~{S})-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid

KYQ

KYQ
Name:	(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine
Formula:	C9 H16 N2 O5
SMILES:	O=C(O)C(N)CCCC/N=C(/C(=O)O)CO
InChi:	InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1
Definition date:	2008-04-04
Last modified:	2024-09-27
Identifier:	(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine

HPH

HPH
Name:	(2S)-2-amino-3-phenylpropane-1,1-diol
Formula:	C9 H13 N O2
SMILES:	OC(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1
Synonyms:	(2S)-2-amino-3-phenylpropane-1,1-diol
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-phenylpropane-1,1-diol

HQA

HQA
Name:	3-(8-hydroxyquinolin-3-yl)-L-alanine
Formula:	C12 H12 N2 O3
SMILES:	O=C(O)C(N)Cc1cc2cccc(O)c2nc1
InChi:	InChI=1S/C12H12N2O3/c13-9(12(16)17)5-7-4-8-2-1-3-10(15)11(8)14-6-7/h1-4,6,9,15H,5,13H2,(H,16,17)/t9-/m0/s1
Definition date:	2008-12-10
Last modified:	2024-09-27
Identifier:	3-(8-hydroxyquinolin-3-yl)-L-alanine

HS8

HS8
Name:	3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine
Formula:	C6 H10 N3 O5 S
SMILES:	O=S(=O)(O)n1cc([nH+]c1)CC(C(=O)O)N
InChi:	InChI=1S/C6H9N3O5S/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H,12,13,14)/p+1/t5-/m0/s1
Definition date:	2008-11-13
Last modified:	2024-09-27
Identifier:	3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine

HS9

HS9
Name:	N-ALPHA-METHYL-L-HISTIDINAMIDE
Formula:	C7 H12 N4 O
SMILES:	O=C(N)C(NC)Cc1ncnc1
InChi:	InChI=1S/C7H12N4O/c1-9-6(7(8)12)2-5-3-10-4-11-5/h3-4,6,9H,2H2,1H3,(H2,8,12)(H,10,11)/t6-/m0/s1
Synonyms:	N-METHYL-L-HISTIDINAMIDE
Definition date:	2009-09-02
Last modified:	2024-09-27
Identifier:	Nalpha-methyl-L-histidinamide

HSK

HSK
Name:	3-hydroxy-L-histidine
Formula:	C6 H9 N3 O3
SMILES:	O=C(O)C(N)Cc1cncn1O
InChi:	InChI=1S/C6H9N3O3/c7-5(6(10)11)1-4-2-8-3-9(4)12/h2-3,5,12H,1,7H2,(H,10,11)/t5-/m0/s1
Definition date:	2014-05-01
Last modified:	2024-09-27
Release date:	2014-09-03
Identifier:	3-hydroxy-L-histidine

HSO

HSO
Name:	L-histidinol
Formula:	C6 H12 N3 O
SMILES:	NC(CO)Cc1[nH+]cnc1
InChi:	InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-[(2S)-2-amino-3-hydroxypropyl]-1H-imidazol-3-ium

HSV

HSV
Name:	L-histidinal
Formula:	C6 H10 N3 O
SMILES:	NC(C=O)Cc1[nH+]cnc1
InChi:	InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/p+1/t5-/m0/s1
Definition date:	2015-06-17
Last modified:	2024-09-27
Identifier:	4-[(2S)-2-amino-3-oxopropyl]-1H-imidazol-3-ium

L2F

L2F
Name:	N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol
Formula:	C27 H31 N3 O4 S
SMILES:	CC[CH](C)[CH](N[S](=O)(=O)c1cccc2ccccc12)C(=O)N[CH](CO)Cc3c[nH]c4ccccc34
InChi:	InChI=1S/C27H31N3O4S/c1-3-18(2)26(30-35(33,34)25-14-8-10-19-9-4-5-12-23(19)25)27(32)29-21(17-31)15-20-16-28-24-13-7-6-11-22(20)24/h4-14,16,18,21,26,28,30-31H,3,15,17H2,1-2H3,(H,29,32)/t18-,21-,26-/m0/s1
Synonyms:	(2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
Definition date:	2022-06-14
Last modified:	2024-09-27
Release date:	2023-07-05
Identifier:	(2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide

L2P

L2P
Name:	2,3-DI-PHYTANYL-GLYCEROL
Formula:	C43 H88 O3
SMILES:	OCC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChi:	InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1
Synonyms:	1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL
Definition date:	1999-09-22
Last modified:	2024-09-27
Identifier:	(2R)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol

HTR

HTR
Name:	BETA-HYDROXYTRYPTOPHANE
Formula:	C11 H12 N2 O3
SMILES:	O=C(O)C(N)C(O)c2c1ccccc1nc2
InChi:	InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(betaS)-beta-hydroxy-L-tryptophan

L3F

L3F
Name:	(phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate
Formula:	C22 H28 N2 O4
SMILES:	CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO)Cc2ccccc2
InChi:	InChI=1S/C22H28N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,16,19-20,25H,13-15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
Synonyms:	benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Definition date:	2022-06-14
Last modified:	2024-09-27
Release date:	2023-07-05
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate

HTY

HTY
Name:	(betaR)-beta-hydroxy-D-tyrosine
Formula:	C9 H11 N O4
SMILES:	O=C(O)C(N)C(O)c1ccc(O)cc1
InChi:	InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8-/m1/s1
Definition date:	2002-09-02
Last modified:	2024-09-27
Identifier:	(betaR)-beta-hydroxy-D-tyrosine

HU2

HU2
Name:	(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID
Formula:	C34 H52 N4 O7
SMILES:	O=C(NC(C(=O)NC(C(=O)C(=O)NCC(=O)NC(C(=O)O)c1ccccc1)CCC)CC(C)C)C(C/C=C/CC(C)C)C(C)C
InChi:	InChI=1S/C34H52N4O7/c1-8-14-26(30(40)33(43)35-20-28(39)38-29(34(44)45)24-16-10-9-11-17-24)36-32(42)27(19-22(4)5)37-31(41)25(23(6)7)18-13-12-15-21(2)3/h9-13,16-17,21-23,25-27,29H,8,14-15,18-20H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)(H,38,39)(H,44,45)/b13-12+/t25-,26-,27-,29-/m0/s1
Synonyms:	Ketoamide Inhibitor CVS4819, bound form
Definition date:	2007-01-09
Last modified:	2024-09-27
Identifier:	(2S)-({N-[(3S)-3-({N-[(2S,4E)-7-methyl-2-(propan-2-yl)oct-4-enoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)ethanoic acid

QH4

QH4
Name:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile
Formula:	C32 H39 N7 O2
SMILES:	C(C#N)C1CN(CCN1C(=O)CC)c2nc(nc3CN(CCc23)c4c5c(ccc4)cccc5)OCC6CCCN6C
InChi:	InChI=1S/C32H39N7O2/c1-3-30(40)39-19-18-38(20-24(39)13-15-33)31-27-14-17-37(29-12-6-9-23-8-4-5-11-26(23)29)21-28(27)34-32(35-31)41-22-25-10-7-16-36(25)2/h4-6,8-9,11-12,24-25H,3,7,10,13-14,16-22H2,1-2H3/t24-,25-/m0/s1
Definition date:	2019-11-01
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile

QIP

QIP
Name:	2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide
Formula:	C9 H14 N4 O4 S
SMILES:	CSCCC(=N)[C]1(O)NC(=O)CN1C(=O)C(N)=O
InChi:	InChI=1S/C9H14N4O4S/c1-18-3-2-5(10)9(17)12-6(14)4-13(9)8(16)7(11)15/h10,17H,2-4H2,1H3,(H2,11,15)(H,12,14)/b10-5-/t9-/m0/s1
Synonyms:	CHROMOPHORE (MET-TYR-GLY)
Definition date:	2022-11-01
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide

QJE

QJE
Name:	3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
Formula:	C15 H33 N O7
SMILES:	NCCOCCOCCOCCOCCOCCOCCCO
InChi:	InChI=1S/C15H33NO7/c16-2-5-19-7-9-21-11-13-23-15-14-22-12-10-20-8-6-18-4-1-3-17/h17H,1-16H2
Definition date:	2020-06-18
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol

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