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FN2

FN2
Name:	(1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C28 H40 N4 O9 S
SMILES:	O=C(Cc1ccccc1)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1
InChi:	InChI=1S/C28H40N4O9S/c1-17(2)10-21(25(35)30-22(26(36)42(38,39)40)12-19-8-9-29-24(19)34)31-27(37)41-20-13-28(14-20)15-32(16-28)23(33)11-18-6-4-3-5-7-18/h3-7,17,19-22,26,36H,8-16H2,1-2H3,(H,29,34)(H,30,35)(H,31,37)(H,38,39,40)/t19-,21-,22-,26-/m0/s1
Definition date:	2021-12-15
Last modified:	2024-09-27
Release date:	2021-12-22
Identifier:	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[2-(phenylacetyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid

YB4

YB4
Name:	~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
Formula:	C35 H42 N8 O2
SMILES:	CCC(=O)Nc1cc(ccc1Nc2ncc3CCc4n(ccc4C(=O)Nc5c(CC)cccc5CC)c3n2)N6CCN(C)CC6
InChi:	InChI=1S/C35H42N8O2/c1-5-23-9-8-10-24(6-2)32(23)39-34(45)27-15-16-43-30(27)14-11-25-22-36-35(40-33(25)43)38-28-13-12-26(21-29(28)37-31(44)7-3)42-19-17-41(4)18-20-42/h8-10,12-13,15-16,21-22H,5-7,11,14,17-20H2,1-4H3,(H,37,44)(H,39,45)(H,36,38,40)
Definition date:	2021-02-15
Last modified:	2024-09-27
Release date:	2022-02-16
Identifier:	~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide

NQS

NQS
Name:	2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione
Formula:	C12 H10 O3 S
SMILES:	O=C2c1c(cccc1)C(=O)C(SCCO)=C2
InChi:	InChI=1S/C12H10O3S/c13-5-6-16-11-7-10(14)8-3-1-2-4-9(8)12(11)15/h1-4,7,13H,5-6H2
Definition date:	2014-04-24
Last modified:	2024-09-27
Release date:	2014-11-05
Identifier:	2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione

YOA

YOA
Name:	5'-{[(2R,3S)-3-amino-2-({2-[(N-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine
Formula:	C25 H44 N9 O12 P S3
SMILES:	O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(N)CS
InChi:	InChI=1S/C25H44N9O12PS3/c1-25(2,10-45-47(40,41)42)20(38)23(39)29-4-3-16(35)28-5-6-49-15(13(26)8-48)9-50(43,44)33-7-14-18(36)19(37)24(46-14)34-12-32-17-21(27)30-11-31-22(17)34/h11-15,18-20,24,33,36-38,48H,3-10,26H2,1-2H3,(H,28,35)(H,29,39)(H2,27,30,31)(H2,40,41,42)/t13-,14+,15-,18+,19+,20-,24+/m0/s1
Definition date:	2021-03-16
Last modified:	2024-09-27
Release date:	2022-02-02
Identifier:	5'-{[(2R,3S)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine

NQU

NQU
Name:	2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C21 H28 Cl2 N2 O3
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Oc3ccc(Cl)cc3
InChi:	InChI=1S/C21H28Cl2N2O3/c22-14-19(26)24-15-16-8-12-25(13-9-16)20(27)21(10-2-1-3-11-21)28-18-6-4-17(23)5-7-18/h4-7,16H,1-3,8-15H2,(H,24,26)
Definition date:	2022-08-17
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide

YB9

YB9
Name:	1-carbamamido-1,2-dideoxy-5-O-phosphono-L-threo-pentitol
Formula:	C6 H15 N2 O7 P
SMILES:	O=P(O)(O)OCC(O)C(O)CCNC(N)=O
InChi:	InChI=1S/C6H15N2O7P/c7-6(11)8-2-1-4(9)5(10)3-15-16(12,13)14/h4-5,9-10H,1-3H2,(H3,7,8,11)(H2,12,13,14)/t4-,5-/m0/s1
Definition date:	2023-01-22
Last modified:	2024-09-27
Release date:	2023-04-26
Identifier:	1-carbamamido-1,2-dideoxy-5-O-phosphono-L-threo-pentitol

FN8

FN8
Name:	(~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide
Formula:	C17 H31 N3 O7
SMILES:	CCC(=O)N(O)CCC[CH](NC(C)=O)[CH](O)OCCC(C)=CC(=O)N(C)O
InChi:	InChI=1S/C17H31N3O7/c1-5-15(22)20(26)9-6-7-14(18-13(3)21)17(24)27-10-8-12(2)11-16(23)19(4)25/h11,14,17,24-26H,5-10H2,1-4H3,(H,18,21)/b12-11-/t14-,17-/m0/s1
Definition date:	2018-07-20
Last modified:	2024-09-27
Release date:	2018-08-15
Identifier:	(~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide

YOF

YOF
Name:	3-FLUOROTYROSINE
Formula:	C9 H10 F N O3
SMILES:	Fc1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-fluoro-L-tyrosine

A1IJ4

A1IJ4
Name:	4-[3-(aminomethyl)phenoxy]butylcarbamic acid
Formula:	C12 H18 N2 O3
SMILES:	NCc1cccc(OCCCCNC(O)=O)c1
InChi:	InChI=1S/C12H18N2O3/c13-9-10-4-3-5-11(8-10)17-7-2-1-6-14-12(15)16/h3-5,8,14H,1-2,6-7,9,13H2,(H,15,16)
Definition date:	2024-08-06
Last modified:	2024-09-27
Release date:	2024-08-14
Identifier:	4-[3-(aminomethyl)phenoxy]butylcarbamic acid

NR0

NR0
Name:	N-[(3R,4R)-4-aminooxolan-3-yl]-2-(6-amino-9H-purin-9-yl)-N-(2-oxoethyl)acetamide
Formula:	C13 H17 N7 O4
SMILES:	OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21
InChi:	InChI=1S/C13H17N7O4/c14-7-3-24-4-8(7)20(2-10(22)23)9(21)1-19-6-18-11-12(15)16-5-17-13(11)19/h5-8H,1-4,14H2,(H,22,23)(H2,15,16,17)/t7-,8-/m0/s1
Definition date:	2022-04-07
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine

Z7Z

Z7Z
Name:	biphenyl-4-carboxylic acid
Formula:	C13 H10 O2
SMILES:	O=C(O)c2ccc(c1ccccc1)cc2
InChi:	InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
Definition date:	2012-12-17
Last modified:	2024-09-27
Release date:	2021-09-01
Identifier:	biphenyl-4-carboxylic acid

YBH

YBH
Name:	4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID
Formula:	C29 H28 N4 O6 S
SMILES:	O=C(O)CC(C=O)NC(=O)C(c1sccc1)CCCCNC(=O)c4ccc(Oc2nc3c(nc2)cccc3)cc4
InChi:	InChI=1S/C29H28N4O6S/c34-18-20(16-27(35)36)32-29(38)22(25-9-5-15-40-25)6-3-4-14-30-28(37)19-10-12-21(13-11-19)39-26-17-31-23-7-1-2-8-24(23)33-26/h1-2,5,7-13,15,17-18,20,22H,3-4,6,14,16H2,(H,30,37)(H,32,38)(H,35,36)/t20-,22-/m0/s1
Definition date:	2004-01-09
Last modified:	2024-09-27
Identifier:	(3S)-4-oxo-3-{[(2R)-6-({[4-(quinoxalin-2-yloxy)phenyl]carbonyl}amino)-2-thiophen-2-ylhexanoyl]amino}butanoic acid

FNH

FNH
Name:	(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
Formula:	C41 H55 N5 O8
SMILES:	O=C(O)C(c1ccccc1)NC(=O)CNC(=O)C(=O)C(NC(=O)C3NC(=O)C(NC(=O)CCCCCCCc2cccc(c2)C3)C4CCCCC4)CCC
InChi:	InChI=1S/C41H55N5O8/c1-2-15-31(37(49)40(52)42-26-34(48)46-36(41(53)54)30-21-11-7-12-22-30)43-38(50)32-25-28-18-14-17-27(24-28)16-8-4-3-5-13-23-33(47)45-35(39(51)44-32)29-19-9-6-10-20-29/h7,11-12,14,17-18,21-22,24,29,31-32,35-36H,2-6,8-10,13,15-16,19-20,23,25-26H2,1H3,(H,42,52)(H,43,50)(H,44,51)(H,45,47)(H,46,48)(H,53,54)/t31-,32-,35-,36+/m0/s1
Definition date:	2005-07-27
Last modified:	2024-09-27
Identifier:	(2R)-({N-[(3S)-3-({[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)ethanoic acid

Z82

Z82
Name:	4-bromobenzoic acid
Formula:	C7 H5 Br O2
SMILES:	OC(=O)c1ccc(Br)cc1
InChi:	InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
Definition date:	2010-01-26
Last modified:	2024-09-27
Identifier:	4-bromobenzoic acid

YBJ

YBJ
Name:	(2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol
Formula:	C7 H15 N O3
SMILES:	CO[CH]1[CH](N)C[CH](O)O[CH]1C
InChi:	InChI=1S/C7H15NO3/c1-4-7(10-2)5(8)3-6(9)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5-,6?,7-/m0/s1
Synonyms:	L-actinosamine
Definition date:	2021-02-16
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	(2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol

ZRA

ZRA
Name:	BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE
Formula:	C18 H28 F N5 O4
SMILES:	FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CCCNC(N)N)C
InChi:	InChI=1S/C18H28FN5O4/c1-12(15(25)10-19)23-16(26)14(8-5-9-22-17(20)21)24-18(27)28-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,17,22H,5,8-11,20-21H2,1H3,(H,23,26)(H,24,27)/t12-,14-/m0/s1
Synonyms:	benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]amino}-1-oxopentan-2-yl]carbamate
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]amino}-1-oxopentan-2-yl]carbamate

YOP

YOP
Name:	3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(5H)-one
Formula:	C8 H12 N2 O2
SMILES:	O=C1NC=CC=C1CC(N)CO
InChi:	InChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1
Definition date:	2021-03-17
Last modified:	2024-09-27
Release date:	2021-08-25
Identifier:	3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(1H)-one

NR6

NR6
Name:	2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C18 H22 Cl2 N2 O3
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Oc3ccc(Cl)cc3
InChi:	InChI=1S/C18H22Cl2N2O3/c19-11-16(23)21-12-13-5-9-22(10-6-13)17(24)18(7-8-18)25-15-3-1-14(20)2-4-15/h1-4,13H,5-12H2,(H,21,23)
Definition date:	2022-08-17
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide

ZRF

ZRF
Name:	2-[(4E)-2-[(1S)-1-aminoethyl]-4-(hydroxymethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C8 H11 N3 O4
SMILES:	C[CH](N)C1=NC(=CO)C(=O)N1CC(O)=O
InChi:	InChI=1S/C8H11N3O4/c1-4(9)7-10-5(3-12)8(15)11(7)2-6(13)14/h3-4,12H,2,9H2,1H3,(H,13,14)/b5-3+/t4-/m0/s1
Synonyms:	2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid
Definition date:	2024-01-22
Last modified:	2024-09-27
Release date:	2024-06-26
Identifier:	2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid

FNO

FNO
Name:	2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione
Formula:	C16 H16 O5
SMILES:	CC(C)=CC[CH](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O
InChi:	InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1
Synonyms:	shikonin
Definition date:	2020-06-11
Last modified:	2024-09-27
Release date:	2021-04-07
Identifier:	2-[(1~{R})-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione

ZRJ

ZRJ
Name:	tert-butyl (2S)-2-amino-2-(3,5-dimethoxyphenyl)acetate
Formula:	C14 H21 N O4
SMILES:	COc1cc(OC)cc(c1)[CH](N)C(=O)OC(C)(C)C
InChi:	InChI=1S/C14H21NO4/c1-14(2,3)19-13(16)12(15)9-6-10(17-4)8-11(7-9)18-5/h6-8,12H,15H2,1-5H3/t12-/m0/s1
Synonyms:	~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate
Definition date:	2024-01-22
Last modified:	2024-09-27
Release date:	2024-04-17
Identifier:	~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate

YOZ

YOZ
Name:	(2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide
Formula:	C12 H22 N4 O3
SMILES:	OC1(N)CCC(C(=O)NC2CCNCC2)N(C=O)C1
InChi:	InChI=1S/C12H22N4O3/c13-12(19)4-1-10(16(7-12)8-17)11(18)15-9-2-5-14-6-3-9/h8-10,14,19H,1-7,13H2,(H,15,18)/t10-,12+/m0/s1
Synonyms:	Relebactam, the acylated, desulfated, imine-hydrolysis intermediate
Definition date:	2023-02-15
Last modified:	2024-09-27
Release date:	2023-08-09
Identifier:	(2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide

YBU

YBU
Name:	(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine
Formula:	C9 H7 N3 O
SMILES:	N=Cc1oc(nn1)c2ccccc2
InChi:	InChI=1S/C9H7N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
Definition date:	2023-06-13
Last modified:	2024-09-27
Release date:	2023-06-28
Identifier:	(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine

NRG

NRG
Name:	N-OMEGA-NITRO-L-ARGININE
Formula:	C6 H13 N5 O4
SMILES:	[O-][N+](=O)NC(=[N@H])NCCCC(C(=O)O)N
InChi:	InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
Synonyms:	NNA
Definition date:	1999-07-28
Last modified:	2024-09-27
Identifier:	N~5~-(N-nitrocarbamimidoyl)-L-ornithine

YBZ

YBZ
Name:	(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
Formula:	C9 H7 N3 S
SMILES:	N=Cc1sc(nn1)c2ccccc2
InChi:	InChI=1S/C9H7N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
Definition date:	2023-06-13
Last modified:	2024-09-27
Release date:	2023-07-26
Identifier:	(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine

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238582

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