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RPG

RPG
Name:	(13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid
Formula:	C20 H32 O4
SMILES:	CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CCCCCCC(O)=O
InChi:	InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
Synonyms:	PROSTAGLANDIN A1 (PGA1)
Definition date:	2017-08-17
Last modified:	2024-09-27
Release date:	2018-12-26
Identifier:	7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]heptanoic acid

RPI

RPI
Name:	phospho-arginine
Formula:	C6 H15 N4 O5 P
SMILES:	N[CH](CCCNC(=N)N[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1
Definition date:	2016-01-02
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	(2~{S})-2-azanyl-5-[(~{N}-phosphonocarbamimidoyl)amino]pentanoic acid

2VS

2VS
Name:	(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid
Formula:	C6 H6 O4
SMILES:	O=C(O)C(O)=CC=CC=O
InChi:	InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3-
Definition date:	2014-02-26
Last modified:	2024-09-27
Release date:	2014-12-24
Identifier:	(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid

2W7

2W7
Name:	N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide
Formula:	C19 H24 N2 O2 S
SMILES:	O=C(c1ccccc1S)NCC(=O)NC24CC3CC(CC(C2)C3)C4
InChi:	InChI=1S/C19H24N2O2S/c22-17(11-20-18(23)15-3-1-2-4-16(15)24)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,24H,5-11H2,(H,20,23)(H,21,22)/t12-,13+,14-,19-
Definition date:	2014-03-06
Last modified:	2024-09-27
Release date:	2014-11-19
Identifier:	N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide

RQT

RQT
Name:	~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide
Formula:	C16 H15 N3 O
SMILES:	CCC(=O)Nc1cccc(c1)c2c[nH]c3ncccc23
InChi:	InChI=1S/C16H15N3O/c1-2-15(20)19-12-6-3-5-11(9-12)14-10-18-16-13(14)7-4-8-17-16/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
Definition date:	2020-10-20
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide

RQZ

RQZ
Name:	3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide
Formula:	C17 H16 N4 O2
SMILES:	CCC(=O)Nc1cccc(c1)c2c[nH]c3ncc(cc23)C(N)=O
InChi:	InChI=1S/C17H16N4O2/c1-2-15(22)21-12-5-3-4-10(6-12)14-9-20-17-13(14)7-11(8-19-17)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H,19,20)(H,21,22)
Definition date:	2020-10-20
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide

2XG

2XG
Name:	3,4-difluorobenzenethiol
Formula:	C6 H4 F2 S
SMILES:	Fc1ccc(S)cc1F
InChi:	InChI=1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
Definition date:	2014-04-04
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	3,4-difluorobenzenethiol

2XH

2XH
Name:	naphthalene-1-thiol
Formula:	C10 H8 S
SMILES:	Sc2cccc1ccccc12
InChi:	InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
Definition date:	2014-04-07
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	naphthalene-1-thiol

2XI

2XI
Name:	(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide
Formula:	C24 H33 N3 O3
SMILES:	C[CH](O)C(=O)N([CH](C(=O)NC(C)(C)C)c1cccnc1)c2ccc(cc2)C(C)(C)C
InChi:	InChI=1S/C24H33N3O3/c1-16(28)22(30)27(19-12-10-18(11-13-19)23(2,3)4)20(17-9-8-14-25-15-17)21(29)26-24(5,6)7/h8-16,20,28H,1-7H3,(H,26,29)/t16-,20-/m1/s1
Definition date:	2021-07-09
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide

2XO

2XO
Name:	1H-benzimidazol-2-ylmethanethiol
Formula:	C8 H8 N2 S
SMILES:	n2c1ccccc1nc2CS
InChi:	InChI=1S/C8H8N2S/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
Definition date:	2014-04-08
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	1H-benzimidazol-2-ylmethanethiol

2XR

2XR
Name:	2-chloro-1-(1H-indol-3-yl)ethanone
Formula:	C10 H8 Cl N O
SMILES:	ClCC(=O)c2c1ccccc1nc2
InChi:	InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
Definition date:	2014-04-08
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	2-chloro-1-(1H-indol-3-yl)ethanone

RRV

RRV
Name:	(2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide
Formula:	C16 H25 N O4
SMILES:	O=C(NCCC(O)Cc1ccccc1)C(O)C(C)(C)CO
InChi:	InChI=1S/C16H25NO4/c1-16(2,11-18)14(20)15(21)17-9-8-13(19)10-12-6-4-3-5-7-12/h3-7,13-14,18-20H,8-11H2,1-2H3,(H,17,21)/t13-,14+/m1/s1
Definition date:	2014-04-11
Last modified:	2024-09-27
Release date:	2014-12-10
Identifier:	(2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide

2YD

2YD
Name:	(5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one
Formula:	C29 H44 O6
SMILES:	O=C1C(=C2OC3(O)C(CC(CC(=CC(C)CCC4OC(C(=C1O)C2C3)C(C)C(O)C4C)C)C)C)C
InChi:	InChI=1S/C29H44O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,14,16-19,21-22,24,28,30,32-33H,8-9,11-13H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,21+,22+,24-,28+,29+/m0/s1
Synonyms:	Kendomycin
Definition date:	2014-05-01
Last modified:	2024-09-27
Release date:	2014-07-30
Identifier:	(5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one

RSH

RSH
Name:	3-DEOXY-D-LYXO-HEXONIC ACID
Formula:	C6 H12 O6
SMILES:	O=C(O)C(O)CC(O)C(O)CO
InChi:	InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5-/m1/s1
Synonyms:	D-2-KETO-3-DEOXYGALACTONATE
Definition date:	2004-07-19
Last modified:	2024-09-27
Identifier:	3-deoxy-D-lyxo-hexonic acid

2YI

2YI
Name:	methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
Formula:	C27 H32 Br N3 O5
SMILES:	CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3)C(=O)OC
InChi:	InChI=1S/C27H32BrN3O5/c1-4-27(5-2,18-32)26(35)29-23-15-20(14-21(16-23)25(34)36-3)24(33)31-12-10-30(11-13-31)17-19-6-8-22(28)9-7-19/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,29,35)
Definition date:	2021-06-23
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate

RST

RST
Name:	3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose
Formula:	C6 H13 N O3
SMILES:	OC1C(OC(O)CC1N)C
InChi:	InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5+,6-/m0/s1
Synonyms:	RISTOSAMINE
Definition date:	2002-09-02
Last modified:	2024-09-27
Identifier:	3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose

2YR

2YR
Name:	2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)
Formula:	C11 H18 N3 O7 P S
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=C(NCCS)C=C1)CC2O
InChi:	InChI=1S/C11H18N3O7PS/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9(12-2-4-23)13-11(14)16/h1,3,7-8,10,15,23H,2,4-6H2,(H,12,13,16)(H2,17,18,19)/t7-,8+,10+/m0/s1
Definition date:	2014-04-28
Last modified:	2024-09-27
Release date:	2014-05-21
Identifier:	2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)

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

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

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

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

30F

30F
Name:	(2Z)-2-amino-3-selanylprop-2-enoic acid
Formula:	C3 H5 N O2 Se
SMILES:	O=C(O)/C(N)=C/[SeH]
InChi:	InChI=1S/C3H5NO2Se/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-
Definition date:	2014-05-06
Last modified:	2024-09-27
Release date:	2015-03-04
Identifier:	(2Z)-2-amino-3-selanylprop-2-enoic acid

RTY

RTY
Name:	4-{4-[(2S,3R)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid
Formula:	C14 H20 Br N O4
SMILES:	BrCC(O)C(N)Cc1ccc(OCCCC(=O)O)cc1
InChi:	InChI=1S/C14H20BrNO4/c15-9-13(17)12(16)8-10-3-5-11(6-4-10)20-7-1-2-14(18)19/h3-6,12-13,17H,1-2,7-9,16H2,(H,18,19)/t12-,13-/m0/s1
Definition date:	2009-07-01
Last modified:	2024-09-27
Identifier:	4-{4-[(2S,3R)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid

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