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UZS

UZS
Name:	N-hydroxy-7-sulfanylheptanamide
Formula:	C7 H15 N O2 S
SMILES:	ONC(CCCCCCS)=O
InChi:	InChI=1S/C7H15NO2S/c9-7(8-10)5-3-1-2-4-6-11/h10-11H,1-6H2,(H,8,9)
Definition date:	2020-06-09
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	N-hydroxy-7-sulfanylheptanamide

LAS

LAS
Name:	N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine
Formula:	C15 H24 N2 O7 S
SMILES:	O=C1NC(C(=O)SCC(C(=O)O)NC(=O)C)(C(O)C1C)C(O)C(C)C
InChi:	InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9?,10+,11+,15-/m1/s1
Synonyms:	LACTACYSTIN
Definition date:	2008-07-10
Last modified:	2024-09-27
Identifier:	N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine

YN1

YN1
Name:	(1S,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:	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid

VU1

VU1
Name:	4-[(piperidin-1-yl)methyl]benzoic acid
Formula:	C13 H17 N O2
SMILES:	C2CCCN(Cc1ccc(C(O)=O)cc1)C2
InChi:	InChI=1S/C13H17NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)
Definition date:	2020-09-14
Last modified:	2024-09-27
Release date:	2021-10-06
Identifier:	4-[(piperidin-1-yl)methyl]benzoic acid

PS9

PS9
Name:	octathiocane
Formula:	S8
SMILES:	S1SSSSSSS1
InChi:	InChI=1S/S8/c1-2-4-6-8-7-5-3-1
Definition date:	2009-04-17
Last modified:	2024-09-27
Identifier:	octathiocane

UZV

UZV
Name:	N-hydroxy-5-sulfanylpentanamide
Formula:	C5 H11 N O2 S
SMILES:	C(CCCCS)(NO)=O
InChi:	InChI=1S/C5H11NO2S/c7-5(6-8)3-1-2-4-9/h8-9H,1-4H2,(H,6,7)
Definition date:	2020-06-09
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	N-hydroxy-5-sulfanylpentanamide

4G6

4G6
Name:	2-methylpropane-1,2-diamine
Formula:	C4 H12 N2
SMILES:	CC(C)(N)CN
InChi:	InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
Definition date:	2015-08-04
Last modified:	2024-09-27
Release date:	2015-10-28
Identifier:	2-methylpropane-1,2-diamine

YN3

YN3
Name:	~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
Formula:	C28 H35 N7 O3
SMILES:	CCC(=O)Nc1ccc(cc1)C(=O)Nc2n[nH]c3c2CN(C(=O)N[CH](CN(C)C)c4ccccc4)C3(C)C
InChi:	InChI=1S/C28H35N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h7-15,22H,6,16-17H2,1-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1
Definition date:	2023-12-06
Last modified:	2024-09-27
Release date:	2024-05-29
Identifier:	~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

PSA

PSA
Name:	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
Formula:	C11 H15 N O3
SMILES:	O=C(O)CC(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-amino-2,4,5-trideoxy-5-phenyl-L-threo-pentonic acid

LAV

LAV
Name:	N-[(2S)-2-amino-4-methylpentyl]-L-valine
Formula:	C11 H24 N2 O2
SMILES:	O=C(O)C(NCC(N)CC(C)C)C(C)C
InChi:	InChI=1S/C11H24N2O2/c1-7(2)5-9(12)6-13-10(8(3)4)11(14)15/h7-10,13H,5-6,12H2,1-4H3,(H,14,15)/t9-,10-/m0/s1
Definition date:	2010-10-28
Last modified:	2024-09-27
Identifier:	N-[(2S)-2-amino-4-methylpentyl]-L-valine

R0B

R0B
Name:	(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C12 H19 N O5 S
SMILES:	CCCCC1=C(N[CH](S1)[CH]([CH](C)O)C(O)=O)C(O)=O
InChi:	InChI=1S/C12H19NO5S/c1-3-4-5-7-9(12(17)18)13-10(19-7)8(6(2)14)11(15)16/h6,8,10,13-14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-,8-,10-/m1/s1
Synonyms:	hydrolyzed faropenem (ring-open form)
Definition date:	2020-08-24
Last modified:	2024-09-27
Release date:	2021-02-24
Identifier:	(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid

RE0

RE0
Name:	3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
Formula:	C11 H12 N2 O4
SMILES:	O=C(O)C(N)CC2(O)c1ccccc1NC2=O
InChi:	InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11+/m0/s1
Definition date:	2011-02-03
Last modified:	2024-09-27
Identifier:	3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine

NBQ

NBQ
Name:	2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
Formula:	C23 H22 N2 O6
SMILES:	O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3
InChi:	InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1
Definition date:	2004-03-08
Last modified:	2024-09-27
Identifier:	2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

RE1

RE1
Name:	GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
Formula:	C11 H21 N3 O7 P
SMILES:	[O-]P(=O)(O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH3+])C
InChi:	InChI=1S/C11H22N3O7P/c1-7(22(19,20)21)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H2,19,20,21)/p-1/t7-,8-/m0/s1
Definition date:	2002-10-15
Last modified:	2024-09-27
Identifier:	(2S)-2-[(ammonioacetyl)amino]-7-{[(1S)-1-(hydroxyphosphinato)ethyl]amino}-7-oxoheptanoate

Y9Z

Y9Z
Name:	5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
Formula:	C14 H22 N6 O12 P2
SMILES:	O=P(OCCNC(=O)C)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:	InChI=1S/C14H22N6O12P2/c1-6(21)16-2-3-29-33(25,26)32-34(27,28)30-4-7-9(22)10(23)13(31-7)20-5-17-8-11(20)18-14(15)19-12(8)24/h5,7,9-10,13,22-23H,2-4H2,1H3,(H,16,21)(H,25,26)(H,27,28)(H3,15,18,19,24)/t7-,9-,10-,13-/m1/s1
Definition date:	2013-12-27
Last modified:	2024-09-27
Release date:	2014-06-04
Identifier:	5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine

KHR

KHR
Name:	3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine
Formula:	C21 H20 F N5 O4 S
SMILES:	COc1ccc(cc1O[S](F)(=O)=O)c2c(C)nn3c(NCc4ccncc4)cc(C)nc23
InChi:	InChI=1S/C21H20FN5O4S/c1-13-10-19(24-12-15-6-8-23-9-7-15)27-21(25-13)20(14(2)26-27)16-4-5-17(30-3)18(11-16)31-32(22,28)29/h4-11,24H,12H2,1-3H3
Definition date:	2023-08-14
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine

4G9

4G9
Name:	2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
Formula:	C10 H12 Cl2 N2 O3 S
SMILES:	Clc1c(cc(cc1)NC(=O)CCl)S(=O)(N(C)C)=O
InChi:	InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)
Definition date:	2015-03-17
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide

O5C

O5C
Name:	1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
Formula:	C18 H14 F N O2
SMILES:	Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O
InChi:	InChI=1S/C18H14FNO2/c1-11-16(12(2)21)15-5-3-4-10-20(15)17(11)18(22)13-6-8-14(19)9-7-13/h3-10H,1-2H3
Definition date:	2023-08-16
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one

UM2

UM2
Name:	(2S)-2-amino-N-butyl-propanamide
Formula:	C7 H16 N2 O
SMILES:	O=C(NCCCC)C(N)C
InChi:	InChI=1S/C7H16N2O/c1-3-4-5-9-7(10)6(2)8/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1
Synonyms:	N-butyl-L-alaninamide
Definition date:	2009-03-24
Last modified:	2024-09-27
Identifier:	N-butyl-L-alaninamide

UZY

UZY
Name:	N-hydroxy-6-sulfanylhexanamide
Formula:	C6 H13 N O2 S
SMILES:	C(CCCCCS)(NO)=O
InChi:	InChI=1S/C6H13NO2S/c8-6(7-9)4-2-1-3-5-10/h9-10H,1-5H2,(H,7,8)
Definition date:	2020-06-09
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	N-hydroxy-6-sulfanylhexanamide

R0E

R0E
Name:	ProM-17
Formula:	C14 H22 N2 O3
SMILES:	CC(C)C[CH]1C=C[CH]2CCN[CH]2C(=O)N1CC(O)=O
InChi:	InChI=1S/C14H22N2O3/c1-9(2)7-11-4-3-10-5-6-15-13(10)14(19)16(11)8-12(17)18/h3-4,9-11,13,15H,5-8H2,1-2H3,(H,17,18)/t10-,11-,13-/m0/s1
Synonyms:	2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid
Definition date:	2020-08-25
Last modified:	2024-09-27
Release date:	2020-10-07
Identifier:	2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid

LAY

LAY
Name:	N-acetyl-L-leucine
Formula:	C8 H15 N O3
SMILES:	O=C(NC(C(=O)O)CC(C)C)C
InChi:	InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
Definition date:	2015-01-22
Last modified:	2024-09-27
Release date:	2016-01-27
Identifier:	N-acetyl-L-leucine

U8W

U8W
Name:	(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid
Formula:	C6 H15 O11 P S
SMILES:	O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O
InChi:	InChI=1S/C6H15O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t3-,4+,5+,6+/m0/s1
Definition date:	2021-02-03
Last modified:	2024-09-27
Release date:	2021-04-14
Identifier:	(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid

RE3

RE3
Name:	3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
Formula:	C11 H12 N2 O4
SMILES:	O=C(O)C(N)CC2(O)c1ccccc1NC2=O
InChi:	InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11-/m0/s1
Definition date:	2011-02-03
Last modified:	2024-09-27
Identifier:	3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine

XHZ

XHZ
Name:	6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
Formula:	C13 H8 O2
SMILES:	C#Cc1cc2ccc(O)c(C=O)c2cc1
InChi:	InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H
Definition date:	2023-06-06
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde

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