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2YS

2YS
Name:	D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide
Formula:	C18 H37 Cl N4 O3
SMILES:	O=C(NC(CCCCN)C(O)CCl)C(NC(=O)C(N)C(C)C)CC(C)C
InChi:	InChI=1S/C18H37ClN4O3/c1-11(2)9-14(23-18(26)16(21)12(3)4)17(25)22-13(15(24)10-19)7-5-6-8-20/h11-16,24H,5-10,20-21H2,1-4H3,(H,22,25)(H,23,26)/t13-,14-,15+,16+/m0/s1
Synonyms:	D-VAL-LEU-LYS-chloromethylketone
Definition date:	2014-04-29
Last modified:	2024-09-27
Release date:	2014-09-03
Identifier:	D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide

OW9

OW9
Name:	1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile
Formula:	C16 H11 N3 O
SMILES:	Cc1cccc(c1)C(=O)n2cc(C#N)c3cnccc23
InChi:	InChI=1S/C16H11N3O/c1-11-3-2-4-12(7-11)16(20)19-10-13(8-17)14-9-18-6-5-15(14)19/h2-7,9-10H,1H3
Definition date:	2022-09-22
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile

2YT

2YT
Name:	L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
Formula:	C25 H35 Cl N6 O3
SMILES:	ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N
InChi:	InChI=1S/C25H35ClN6O3/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/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20-,21-,22+/m0/s1
Synonyms:	PHE-PHE-ARG-chloromethylketone
Definition date:	2014-04-29
Last modified:	2024-09-27
Release date:	2014-09-03
Identifier:	L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide

OWF

OWF
Name:	(3S)-3-hydroxy-D-asparagine
Formula:	C4 H8 N2 O4
SMILES:	NC(=O)C(O)C(N)C(O)=O
InChi:	InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2+/m1/s1
Definition date:	2022-05-18
Last modified:	2024-09-27
Release date:	2023-01-11
Identifier:	(3S)-3-hydroxy-D-asparagine

2Z0

2Z0
Name:	N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide
Formula:	C26 H37 Cl N7 O7 S
SMILES:	ClCC(=O)C(NC(=O)CNC(=O)C(NS(=O)(=O)c2ccc1c(cccc1N(C)C)c2)CCC(=O)O)CCCNC(=[NH2+])N
InChi:	InChI=1S/C26H36ClN7O7S/c1-34(2)21-7-3-5-16-13-17(8-9-18(16)21)42(40,41)33-20(10-11-24(37)38)25(39)31-15-23(36)32-19(22(35)14-27)6-4-12-30-26(28)29/h3,5,7-9,13,19-20,33H,4,6,10-12,14-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)/p+1/t19-,20-/m0/s1
Synonyms:	dansyl-Glu-Gly-Arg-chloromethyl-ketone
Definition date:	2008-08-28
Last modified:	2024-09-27
Identifier:	N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-oxohexan-3-yl]glycinamide

2ZC

2ZC
Name:	O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine
Formula:	C11 H16 N2 O5 S
SMILES:	O=C(O)C(N)COS(=O)(=O)c1ccc(cc1)CCN
InChi:	InChI=1S/C11H16N2O5S/c12-6-5-8-1-3-9(4-2-8)19(16,17)18-7-10(13)11(14)15/h1-4,10H,5-7,12-13H2,(H,14,15)/t10-/m0/s1
Definition date:	2014-05-01
Last modified:	2024-09-27
Release date:	2014-05-14
Identifier:	O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine

OWN

OWN
Name:	methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
Formula:	C17 H20 N2 O3
SMILES:	COC(=O)c1ccc2N(CCN(CC3CC3)c2c1)C(=O)C=C
InChi:	InChI=1S/C17H20N2O3/c1-3-16(20)19-9-8-18(11-12-4-5-12)15-10-13(17(21)22-2)6-7-14(15)19/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3
Definition date:	2020-04-06
Last modified:	2024-09-27
Release date:	2020-07-22
Identifier:	methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate

2ZF

2ZF
Name:	N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide
Formula:	C21 H33 F2 N3 O9
SMILES:	O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C(=O)C(=O)O)CC(F)F)CC(C)C)CCC(=O)O
InChi:	InChI=1S/C21H33F2N3O9/c1-10(2)8-13(18(31)24-12(9-14(22)23)16(29)19(32)33)25-17(30)11(6-7-15(27)28)26-20(34)35-21(3,4)5/h10-14H,6-9H2,1-5H3,(H,24,31)(H,25,30)(H,26,34)(H,27,28)(H,32,33)/t11-,12-,13-/m0/s1
Definition date:	2008-12-12
Last modified:	2024-09-27
Identifier:	N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide

300

300
Name:	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE
Formula:	C8 H9 O6 P
SMILES:	O=Cc1cccc(OC)c1OP(=O)(O)O
InChi:	InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
Synonyms:	RU78300
Definition date:	2003-06-20
Last modified:	2024-09-27
Identifier:	2-formyl-6-methoxyphenyl dihydrogen phosphate

OX6

OX6
Name:	TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
Formula:	C11 H19 N3 O3
SMILES:	O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
InChi:	InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1
Definition date:	2007-05-22
Last modified:	2024-09-27
Identifier:	tert-butyl [(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate

OX7

OX7
Name:	TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
Formula:	C11 H19 N3 O3
SMILES:	O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
InChi:	InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1
Definition date:	2007-05-22
Last modified:	2024-09-27
Identifier:	tert-butyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate

9SJ

9SJ
Name:	5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Formula:	C11 H18 F N O7
SMILES:	O=C(C)NC1C(O)C(F)C(OC1CC(CO)O)C(=O)O
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7+,8-,9-,10-/m0/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid

9SL

9SL
Name:	[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Formula:	C10 H17 N7 O4
SMILES:	C132C(CCN1C(=NC(COC(=O)N)C2NC(=N3)N)N)(O)O
InChi:	InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
Synonyms:	Saxitoxin
Definition date:	2018-07-18
Last modified:	2024-09-27
Release date:	2018-08-08
Identifier:	[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

OXD

OXD
Name:	OXALIC ACID
Formula:	C2 H2 O4
SMILES:	O=C(O)C(=O)O
InChi:	InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
Definition date:	2003-06-20
Last modified:	2024-09-27
Identifier:	ethanedioic acid

OXE

OXE
Name:	ORTHO-XYLENE
Formula:	C8 H10
SMILES:	c1cccc(c1C)C
InChi:	InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1,2-dimethylbenzene

OXJ

OXJ
Name:	1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
Formula:	C10 H9 F6 N
SMILES:	CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C10H9F6N/c1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4,17H,5H2,1H3
Definition date:	2019-07-15
Last modified:	2024-09-27
Release date:	2019-12-11
Identifier:	1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine

9SV

9SV
Name:	2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione
Formula:	C21 H20 N2 O2 S
SMILES:	C1N(CCN(C1)C2=C(C(c3ccccc3C2=O)=O)Sc4ccccc4)C
InChi:	InChI=1S/C21H20N2O2S/c1-22-11-13-23(14-12-22)18-19(24)16-9-5-6-10-17(16)20(25)21(18)26-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
Synonyms:	BOUND FORM
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2017-06-21
Identifier:	2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione

9SW

9SW
Name:	methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
Formula:	C21 H41 O6 P
SMILES:	CCCCCCCCCCCC[CH](CC[P](O)(=O)OC)[CH](C(C)=O)C(=O)OC
InChi:	InChI=1S/C21H41O6P/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-17-28(24,25)27-4)20(18(2)22)21(23)26-3/h19-20H,5-17H2,1-4H3,(H,24,25)/t19-,20+/m1/s1
Definition date:	2017-07-09
Last modified:	2024-09-27
Release date:	2018-01-24
Identifier:	methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid

OXP

OXP
Name:	2-OXO-3-PENTENOIC ACID
Formula:	C5 H6 O3
SMILES:	O=C(C=C/C)C(=O)O
InChi:	InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2-3H,1H3,(H,7,8)/b3-2-
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3Z)-2-oxopent-3-enoic acid

9T1

9T1
Name:	5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
Formula:	C11 H16 F N O7
SMILES:	O=C(C)NC1C(=O)C(F)C(OC1C(C(C)O)O)C(=O)O
InChi:	InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-7,9-10,14,16H,1-2H3,(H,13,15)(H,18,19)/t3-,5-,6-,7-,9+,10-/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid

OXU

OXU
Name:	2-bromanylethanamine
Formula:	C2 H6 Br N
SMILES:	NCCBr
InChi:	InChI=1S/C2H6BrN/c3-1-2-4/h1-2,4H2
Definition date:	2023-08-22
Last modified:	2024-09-27
Release date:	2023-09-27
Identifier:	2-bromanylethanamine

OXX

OXX
Name:	OXALYL-ASPARTYL ANHYDRIDE
Formula:	C6 H6 N O7
SMILES:	O=C(OC(=O)CC(N)C(=O)O)C([O-])=O
InChi:	InChI=1S/C6H7NO7/c7-2(4(9)10)1-3(8)14-6(13)5(11)12/h2H,1,7H2,(H,9,10)(H,11,12)/p-1/t2-/m0/s1
Definition date:	2004-05-20
Last modified:	2024-09-27
Identifier:	{[(3S)-3-amino-3-carboxypropanoyl]oxy}(oxo)acetate (non-preferred name)

OXY

OXY
Name:	OXYGEN MOLECULE
Formula:	O2
SMILES:	O=O
InChi:	InChI=1S/O2/c1-2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	molecular oxygen

9TG

9TG
Name:	3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid
Formula:	C15 H16 B N O5 S
SMILES:	c2c(C(=O)O)cc(CC(B(O)O)NC(=O)Cc1cccs1)cc2
InChi:	InChI=1S/C15H16BNO5S/c18-14(9-12-5-2-6-23-12)17-13(16(21)22)8-10-3-1-4-11(7-10)15(19)20/h1-7,13,21-22H,8-9H2,(H,17,18)(H,19,20)/t13-/m0/s1
Synonyms:	boronic acid transition state inhibitor EC04
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2017-11-29
Identifier:	3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid

9TJ

9TJ
Name:	3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
Formula:	C17 H17 B N4 O5 S
SMILES:	C(B(O)O)(Cn2cc(c1cccc(c1)C(O)=O)nn2)NC(=O)Cc3sccc3
InChi:	InChI=1S/C17H17BN4O5S/c23-16(8-13-5-2-6-28-13)19-15(18(26)27)10-22-9-14(20-21-22)11-3-1-4-12(7-11)17(24)25/h1-7,9,15,26-27H,8,10H2,(H,19,23)(H,24,25)/t15-/m0/s1
Synonyms:	boronic acid transition state inhibitor S03043
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2017-11-29
Identifier:	3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid

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