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PRV

PRV
Name:	(2R)-amino(2-nitrophenyl)ethanoic acid
Formula:	C8 H8 N2 O4
SMILES:	[O-][N+](=O)c1ccccc1C(N)C(=O)O
InChi:	InChI=1S/C8H8N2O4/c9-7(8(11)12)5-3-1-2-4-6(5)10(13)14/h1-4,7H,9H2,(H,11,12)/t7-/m1/s1
Synonyms:	2-(NITRO)PHENYLGLYCINE
Definition date:	2010-02-02
Last modified:	2024-09-27
Identifier:	(2R)-amino(2-nitrophenyl)ethanoic acid

PRW

PRW
Name:	(2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOIC ACID
Formula:	C4 H9 N O4
SMILES:	O=C(O)C(O)C(O)CN
InChi:	InChI=1S/C4H9NO4/c5-1-2(6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3-/m1/s1
Definition date:	2010-02-02
Last modified:	2024-09-27
Identifier:	(2R,3R)-4-amino-2,3-dihydroxybutanoic acid

T09

T09
Name:	(2S,4R)-2-amino-4-methyloctanoic acid
Formula:	C9 H19 N O2
SMILES:	NC(CC(C)CCCC)C(=O)O
InChi:	InChI=1S/C9H19NO2/c1-3-4-5-7(2)6-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
Definition date:	2022-07-13
Last modified:	2024-09-27
Release date:	2023-05-24
Identifier:	(2S,4R)-2-amino-4-methyloctanoic acid

NPB

NPB
Name:	3-NITROPHENYLBORONIC ACID
Formula:	C6 H6 B N O4
SMILES:	[O-][N+](=O)c1cc(B(O)O)ccc1
InChi:	InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
Definition date:	2001-11-19
Last modified:	2024-09-27
Identifier:	(3-nitrophenyl)boronic acid

4FU

4FU
Name:	(1R,2S)-cyclohexane-1,2-dicarboxylic acid
Formula:	C8 H12 O4
SMILES:	C(=O)(O)C1C(CCCC1)C(O)=O
InChi:	InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+
Definition date:	2015-08-04
Last modified:	2024-09-27
Release date:	2015-10-28
Identifier:	(1R,2S)-cyclohexane-1,2-dicarboxylic acid

YMS

YMS
Name:	(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C26 H39 N3 O8 S
SMILES:	CC(C)CC(NC(=O)OC1CCC(CC1)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C26H39N3O8S/c1-16(2)14-21(24(31)28-22(25(32)38(34,35)36)15-19-12-13-27-23(19)30)29-26(33)37-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-7,16,18-22,25,32H,8-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t18-,19-,20-,21-,22-,25+/m0/s1
Definition date:	2021-03-12
Last modified:	2024-09-27
Release date:	2021-03-24
Identifier:	(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1r,4S)-4-phenylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid

4FW

4FW
Name:	4-FLUOROTRYPTOPHANE
Formula:	C11 H11 F N2 O2
SMILES:	O=C(O)C(N)Cc2c1c(F)cccc1nc2
InChi:	InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1
Definition date:	2003-12-16
Last modified:	2024-09-27
Identifier:	4-fluoro-L-tryptophan

ZOY

ZOY
Name:	N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
Formula:	C21 H35 N3 O2
SMILES:	NC(=O)C(N)CCCNC(=O)CCCCCCCCCc1ccccc1
InChi:	InChI=1S/C21H35N3O2/c22-19(21(23)26)15-11-17-24-20(25)16-10-5-3-1-2-4-7-12-18-13-8-6-9-14-18/h6,8-9,13-14,19H,1-5,7,10-12,15-17,22H2,(H2,23,26)(H,24,25)/t19-/m0/s1
Definition date:	2021-05-18
Last modified:	2024-09-27
Release date:	2022-03-30
Identifier:	N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide

NBF

NBF
Name:	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID
Formula:	C14 H16 B N O4
SMILES:	O=C(c1c2c(ccc1OCC)cccc2)NCB(O)O
InChi:	InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17)
Definition date:	2003-02-24
Last modified:	2024-09-27
Identifier:	({[(2-ethoxynaphthalen-1-yl)carbonyl]amino}methyl)boronic acid

LAL

LAL
Name:	N,N-DIMETHYL-L-ALANINE
Formula:	C5 H11 N O2
SMILES:	O=C(O)C(N(C)C)C
InChi:	InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1
Definition date:	2003-10-01
Last modified:	2024-09-27
Identifier:	N,N-dimethyl-L-alanine

Z3V

Z3V
Name:	2-(ethylamino)ethane-1-thiol
Formula:	C4 H11 N S
SMILES:	CCNCCS
InChi:	InChI=1S/C4H11NS/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-11-24
Identifier:	2-(ethylamino)ethane-1-thiol

T0D

T0D
Name:	(2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide
Formula:	C26 H38 Cl N3 O9 S
SMILES:	CC(COC(=O)NC(CC(C)C)C(NC(C(OC(C)=O)S(=O)(=O)O)CC1CCNC1=O)=O)(C)c2cc(ccc2)Cl
InChi:	InChI=1S/C26H38ClN3O9S/c1-15(2)11-20(30-25(34)38-14-26(4,5)18-7-6-8-19(27)13-18)23(33)29-21(12-17-9-10-28-22(17)32)24(39-16(3)31)40(35,36)37/h6-8,13,15,17,20-21,24H,9-12,14H2,1-5H3,(H,28,32)(H,29,33)(H,30,34)(H,35,36,37)/t17-,20-,21-,24+/m0/s1
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	(1R,2S)-1-(acetyloxy)-2-[(N-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

NBG

NBG
Name:	N-acetyl-beta-D-glucopyranosylamine
Formula:	C8 H15 N O6
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	1-N-ACETYL-BETA-D-GLUCOSAMINE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-beta-D-glucopyranosylamine

UZM

UZM
Name:	(3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide
Formula:	C14 H18 Cl2 N2 O3 S
SMILES:	c1c(cc(c(c1)C(CC(NO)=O)CC(=O)NCCCS)Cl)Cl
InChi:	InChI=1S/C14H18Cl2N2O3S/c15-10-2-3-11(12(16)8-10)9(7-14(20)18-21)6-13(19)17-4-1-5-22/h2-3,8-9,21-22H,1,4-7H2,(H,17,19)(H,18,20)/t9-/m0/s1
Definition date:	2020-06-09
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	(3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide

Z41

Z41
Name:	(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
Formula:	C35 H68 O5
SMILES:	O=C(OC(CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
Definition date:	2012-12-17
Last modified:	2024-09-27
Release date:	2021-04-07
Identifier:	(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate

YMV

YMV
Name:	(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C26 H39 N3 O8 S
SMILES:	CC(C)CC(NC(=O)OC1CCC(CC1)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C26H39N3O8S/c1-16(2)14-21(24(31)28-22(25(32)38(34,35)36)15-19-12-13-27-23(19)30)29-26(33)37-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-7,16,18-22,25,32H,8-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t18-,19-,20-,21-,22-,25-/m0/s1
Definition date:	2021-03-12
Last modified:	2024-09-27
Release date:	2021-03-24
Identifier:	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1r,4S)-4-phenylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid

NPH

NPH
Name:	CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE
Formula:	C17 H16 N4 O3 S
SMILES:	O=C(O)C(N)CSCC(=O)Nc2cc1cccnc1c3ncccc23
InChi:	InChI=1S/C17H16N4O3S/c18-12(17(23)24)8-25-9-14(22)21-13-7-10-3-1-5-19-15(10)16-11(13)4-2-6-20-16/h1-7,12H,8-9,18H2,(H,21,22)(H,23,24)/t12-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	S-[2-oxo-2-(1,10-phenanthrolin-5-ylamino)ethyl]-L-cysteine

YMY

YMY
Name:	(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C24 H43 N3 O8 S
SMILES:	CC(C)CC(NC(=O)OCC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H43N3O8S/c1-4-5-16-6-8-17(9-7-16)14-35-24(31)27-19(12-15(2)3)22(29)26-20(23(30)36(32,33)34)13-18-10-11-25-21(18)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,17-,18-,19-,20-,23+/m0/s1
Definition date:	2021-03-12
Last modified:	2024-09-27
Release date:	2021-03-24
Identifier:	(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid

PS5

PS5
Name:	PENTASULFIDE-SULFUR
Formula:	S5
SMILES:	[S-]SSS[S-]
InChi:	InChI=1S/H2S5/c1-3-5-4-2/h1-2H/p-2
Definition date:	2003-09-15
Last modified:	2024-09-27
Identifier:	pentasulfane-1,5-diide

T0I

T0I
Name:	(2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid
Formula:	C12 H13 N3 O4
SMILES:	N[CH](Cc1cc(n2ccnc2)c(O)cc1O)C(O)=O
InChi:	InChI=1S/C12H13N3O4/c13-8(12(18)19)3-7-4-9(11(17)5-10(7)16)15-2-1-14-6-15/h1-2,4-6,8,16-17H,3,13H2,(H,18,19)/t8-/m0/s1
Definition date:	2011-01-31
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid

XHR

XHR
Name:	(1R,2R,3R,4S)-4-[8-(azanyldiazenyl)octylamino]-3-(hydroxymethyl)cyclopentane-1,2-diol
Formula:	C14 H30 N4 O3
SMILES:	NN=NCCCCCCCCN[CH]1C[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C14H30N4O3/c15-18-17-8-6-4-2-1-3-5-7-16-12-9-13(20)14(21)11(12)10-19/h11-14,16,19-21H,1-10H2,(H2,15,17)/t11-,12-,13+,14+/m0/s1
Definition date:	2023-11-02
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	(1~{R},2~{R},3~{R},4~{S})-4-[8-(azanyldiazenyl)octylamino]-3-(hydroxymethyl)cyclopentane-1,2-diol

ULW

ULW
Name:	[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
Formula:	C22 H35 N O4
SMILES:	CC(C)CCCC(C)=CCCC(C)=CCOC(=O)CCN1C(=O)CCC1=O
InChi:	InChI=1S/C22H35NO4/c1-17(2)7-5-8-18(3)9-6-10-19(4)14-16-27-22(26)13-15-23-20(24)11-12-21(23)25/h9,14,17H,5-8,10-13,15-16H2,1-4H3/b18-9-,19-14-
Definition date:	2021-03-01
Last modified:	2024-09-27
Release date:	2021-09-22
Identifier:	[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate

NBL

NBL
Name:	N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE
Formula:	C19 H26 N4 O3
SMILES:	N#CN2CCC(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C2
InChi:	InChI=1S/C19H26N4O3/c1-14(2)10-17(18(24)21-16-8-9-23(11-16)13-20)22-19(25)26-12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t16-,17+/m1/s1
Definition date:	2005-01-31
Last modified:	2024-09-27
Identifier:	N~2~-[(benzyloxy)carbonyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-L-leucinamide

O56

O56
Name:	1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one
Formula:	C19 H26 Cl F3 N2 O2 S2
SMILES:	CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2ccc(Cl)c(c2)C(F)(F)F
InChi:	InChI=1S/C19H26ClF3N2O2S2/c1-24(2)10-12-29-28-11-5-17(26)25-8-6-18(27,7-9-25)14-3-4-16(20)15(13-14)19(21,22)23/h3-4,13,27H,5-12H2,1-2H3
Definition date:	2022-08-30
Last modified:	2024-09-27
Release date:	2023-04-26
Identifier:	1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-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

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