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WIQ

WIQ
Name:	3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide
Formula:	C26 H30 Cl N7 O3
SMILES:	CCC(=O)N1CC(CC1COC)n1nc(C#Cc2cc3ncn(C4CC4)c3cc2Cl)c(c1NC)C(N)=O
InChi:	InChI=1S/C26H30ClN7O3/c1-4-23(35)32-12-17(10-18(32)13-37-3)34-26(29-2)24(25(28)36)20(31-34)8-5-15-9-21-22(11-19(15)27)33(14-30-21)16-6-7-16/h9,11,14,16-18,29H,4,6-7,10,12-13H2,1-3H3,(H2,28,36)/t17-,18+/m0/s1
Definition date:	2023-10-04
Last modified:	2024-09-27
Release date:	2024-02-07
Identifier:	3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide

SGH

SGH
Name:	1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole
Formula:	C17 H13 F3 N2
SMILES:	Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H13F3N2/c1-12-7-8-14(11-15(12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3
Definition date:	2020-11-16
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole

PMI

PMI
Name:	(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)PHOSPHONIC ACID
Formula:	C9 H12 N O3 P
SMILES:	O=P(O)(O)C2(N)Cc1ccccc1C2
InChi:	InChI=1S/C9H12NO3P/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9/h1-4H,5-6,10H2,(H2,11,12,13)
Synonyms:	2-AMINOINDAN-2-PHOSPHONIC ACID
Definition date:	2006-12-14
Last modified:	2024-09-27
Identifier:	(2-amino-2,3-dihydro-1H-inden-2-yl)phosphonic acid

ZIQ

ZIQ
Name:	alpha-methyl-L-tryptophan
Formula:	C12 H14 N2 O2
SMILES:	NC(C(O)=O)(Cc1cnc2c1cccc2)C
InChi:	InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
Definition date:	2018-06-13
Last modified:	2024-09-27
Release date:	2020-01-01
Identifier:	alpha-methyl-L-tryptophan

LXO

LXO
Name:	4-(pyridin-4-ylamino)butanoic acid
Formula:	C9 H12 N2 O2
SMILES:	OC(=O)CCCNc1ccncc1
InChi:	InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13)
Definition date:	2022-12-16
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	4-(pyridin-4-ylamino)butanoic acid

NYS

NYS
Name:	S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
Formula:	C11 H16 N2 O5 S
SMILES:	O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN
InChi:	InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8-/m0/s1
Definition date:	2007-10-08
Last modified:	2024-09-27
Identifier:	S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine

WYK

WYK
Name:	(2S,4S)-4-hydroxy-L-arginine
Formula:	C6 H14 N4 O3
SMILES:	N[CH](C[CH](O)CNC(N)=N)C(O)=O
InChi:	InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1
Synonyms:	(2S,4S)-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid
Definition date:	2023-05-23
Last modified:	2024-09-27
Release date:	2023-08-09
Identifier:	(2~{S},4~{S})-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid

KQN

KQN
Name:	6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide
Formula:	C13 H23 N5 O4
SMILES:	C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[N+]=[N-])C=O
InChi:	InChI=1S/C13H23N5O4/c1-9(13(22)17-11(8-19)10(2)20)16-12(21)6-4-3-5-7-15-18-14/h8-11,20H,3-7H2,1-2H3,(H,16,21)(H,17,22)/t9-,10+,11+/m0/s1
Synonyms:	Beta-lactone antibacterial agent (open form)
Definition date:	2022-06-02
Last modified:	2024-09-27
Release date:	2022-11-02
Identifier:	6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide

YHD

YHD
Name:	N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide
Formula:	C20 H25 B N2 O3
SMILES:	O=C(NC(Cc1ccc(cc1)c1ccccc1)B(O)O)C1CCCN1C
InChi:	InChI=1S/C20H25BN2O3/c1-23-13-5-8-18(23)20(24)22-19(21(25)26)14-15-9-11-17(12-10-15)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,25-26H,5,8,13-14H2,1H3,(H,22,24)/t18-,19-/m0/s1
Definition date:	2021-03-08
Last modified:	2024-09-27
Release date:	2021-09-22
Identifier:	N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide

SUN

SUN
Name:	O-[(R)-(DIMETHYLAMINO)(ETHOXY)PHOSPHORYL]-L-SERINE
Formula:	C7 H17 N2 O5 P
SMILES:	O=P(OCC)(OCC(N)C(=O)O)N(C)C
InChi:	InChI=1S/C7H17N2O5P/c1-4-13-15(12,9(2)3)14-5-6(8)7(10)11/h6H,4-5,8H2,1-3H3,(H,10,11)/t6-,15+/m0/s1
Synonyms:	TABUN CONJUGATED SERINE
Definition date:	2007-01-25
Last modified:	2024-09-27
Identifier:	O-[(R)-(dimethylamino)(ethoxy)phosphoryl]-L-serine

YUN

YUN
Name:	N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
Formula:	C17 H15 Br N4 O
SMILES:	Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)CC
InChi:	InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
Definition date:	2013-08-02
Last modified:	2024-09-27
Release date:	2013-09-11
Identifier:	N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide

SGK

SGK
Name:	2-(pyridin-2-ylmethylamino)ethanoic acid
Formula:	C8 H10 N2 O2
SMILES:	OC(=O)CNCc1ccccn1
InChi:	InChI=1S/C8H10N2O2/c11-8(12)6-9-5-7-3-1-2-4-10-7/h1-4,9H,5-6H2,(H,11,12)
Definition date:	2020-11-16
Last modified:	2024-09-27
Release date:	2021-12-01
Identifier:	2-(pyridin-2-ylmethylamino)ethanoic acid

NK
Name:	SALICYLALDEHYDE
Formula:	C7 H6 O2
SMILES:	O=Cc1ccccc1O
InChi:	InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
Definition date:	2005-11-14
Last modified:	2024-09-27
Identifier:	2-hydroxybenzaldehyde

V9C

V9C
Name:	2-phenylethylcarbamic acid
Formula:	C9 H11 N O2
SMILES:	OC(=O)NCCc1ccccc1
InChi:	InChI=1S/C9H11NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
Definition date:	2017-01-09
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	2-phenylethylcarbamic acid

SGL

SGL
Name:	1-HYDROXY-1-THIO-GLYCEROL
Formula:	C3 H8 O3 S
SMILES:	OCC(O)CSO
InChi:	InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2,3-dihydroxypropane-1-sulfenic acid

WIX

WIX
Name:	(1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C23 H34 Cl N3 O9 S
SMILES:	Clc1cccc(c1)C(C)(O)COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C23H34ClN3O9S/c1-13(2)9-17(27-22(31)36-12-23(3,32)15-5-4-6-16(24)11-15)20(29)26-18(21(30)37(33,34)35)10-14-7-8-25-19(14)28/h4-6,11,13-14,17-18,21,30,32H,7-10,12H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t14-,17-,18-,21-,23-/m0/s1
Definition date:	2022-09-13
Last modified:	2024-09-27
Release date:	2022-09-21
Identifier:	(1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

SGM

SGM
Name:	MONOTHIOGLYCEROL
Formula:	C3 H8 O2 S
SMILES:	OCC(O)CS
InChi:	InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-3-sulfanylpropane-1,2-diol

NYX

NYX
Name:	2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
Formula:	C10 H10 Cl N3 O
SMILES:	ClCC(=O)NCc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide

XC4

XC4
Name:	1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole
Formula:	C15 H10 N4 O2
SMILES:	c2cc1nccc1cc2C(=O)On3c4c(nn3)cccc4
InChi:	InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H
Definition date:	2020-12-09
Last modified:	2024-09-27
Release date:	2020-12-16
Identifier:	1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole

UGE

UGE
Name:	4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
Formula:	C16 H15 N O3 S
SMILES:	O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23
InChi:	InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2
Definition date:	2021-02-16
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde

PMP

PMP
Name:	4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE
Formula:	C8 H13 N2 O5 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1CN)C
InChi:	InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
Synonyms:	PYRIDOXAMINE-5'-PHOSPHATE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate

YHI

YHI
Name:	benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Formula:	C23 H31 N3 O5
SMILES:	O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C
InChi:	InChI=1S/C23H31N3O5/c1-23(2)17-11-26(22(30)31-13-14-6-4-3-5-7-14)19(18(17)23)21(29)25-16(12-27)10-15-8-9-24-20(15)28/h3-7,15-19,27H,8-13H2,1-2H3,(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1
Definition date:	2021-03-08
Last modified:	2024-09-27
Release date:	2021-03-17
Identifier:	benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

KBO

KBO
Name:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Formula:	C28 H34 N4 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4cccnc34)c1
InChi:	InChI=1S/C28H34N4O2/c1-3-28(4-2,21-33)27(34)30-25-12-5-8-22(18-25)19-31-14-16-32(17-15-31)20-24-10-6-9-23-11-7-13-29-26(23)24/h5-13,18,21H,3-4,14-17,19-20H2,1-2H3,(H,30,34)
Definition date:	2022-05-23
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide

LXV

LXV
Name:	2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide
Formula:	C12 H15 Br2 N3 O2 S
SMILES:	Brc1cc(c(Br)cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C
InChi:	InChI=1S/C12H15Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,7-8,10,15-16H,4,6H2,1H3/b15-7+/t8-,10+/m0/s1
Definition date:	2010-11-02
Last modified:	2024-09-27
Identifier:	2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide

ZIZ

ZIZ
Name:	N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide
Formula:	C15 H21 I3 N6 O6
SMILES:	ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI
InChi:	InChI=1S/C15H21I3N6O6/c16-1-10(25)19-4-13(28)22-7-23(14(29)5-20-11(26)2-17)9-24(8-22)15(30)6-21-12(27)3-18/h1-9H2,(H,19,25)(H,20,26)(H,21,27)
Definition date:	2023-06-26
Last modified:	2024-09-27
Release date:	2023-11-01
Identifier:	~{N}-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide

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