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XXY

XXY
Name:	2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate
Formula:	C12 H16 N5 O4
SMILES:	[O-]c1c(nc(n1CC(=O)O)C(N)C(O)C)Cc2cncn2
InChi:	InChI=1S/C12H17N5O4/c1-6(18)10(13)11-16-8(2-7-3-14-5-15-7)12(21)17(11)4-9(19)20/h3,5-6,10,18,21H,2,4,13H2,1H3,(H,14,15)(H,19,20)/p-1/t6-,10+/m1/s1
Synonyms:	CHROMOPHORE THR-HIS-GLY
Definition date:	2006-02-10
Last modified:	2024-09-27
Identifier:	2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate

U1R

U1R
Name:	5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
Formula:	C17 H12 Br N O2
SMILES:	O=Cc1ncc(Br)cc1OCc1cc2ccccc2cc1
InChi:	InChI=1S/C17H12BrNO2/c18-15-8-17(16(10-20)19-9-15)21-11-12-5-6-13-3-1-2-4-14(13)7-12/h1-10H,11H2
Definition date:	2022-08-02
Last modified:	2024-09-27
Release date:	2023-06-28
Identifier:	5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde

V9M

V9M
Name:	(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium
Formula:	C15 H32 N O2
SMILES:	C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O
InChi:	InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1
Definition date:	2020-07-21
Last modified:	2024-09-27
Release date:	2020-09-16
Identifier:	(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium

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

IMP

IMP
Name:	INOSINIC ACID
Formula:	C10 H13 N4 O8 P
SMILES:	O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:	InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5'-inosinic acid

XY1

XY1
Name:	4-[(E)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid
Formula:	C15 H15 N3 O3
SMILES:	O=C(O)c2ccc(/N=N/c1cc(ccc1O)CCN)cc2
InChi:	InChI=1S/C15H15N3O3/c16-8-7-10-1-6-14(19)13(9-10)18-17-12-4-2-11(3-5-12)15(20)21/h1-6,9,19H,7-8,16H2,(H,20,21)/b18-17+
Synonyms:	4-[5-(2-Aminoethyl)-2-hydroxyphenylazo]-benzoic acid
Definition date:	2013-03-12
Last modified:	2024-09-27
Release date:	2014-03-26
Identifier:	4-{(E)-[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl}benzoic acid

T8M

T8M
Name:	1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C11 H16 N2 O S
SMILES:	N1(CCN(CC1)C(C)=O)Cc2cccs2
InChi:	InChI=1S/C11H16N2OS/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11/h2-3,8H,4-7,9H2,1H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one

X1Z

X1Z
Name:	~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide
Formula:	C29 H43 F2 N5 O6 S
SMILES:	COC[CH](NC(=O)[CH](NC(=O)C1CCC(F)(F)CC1)C2CCCCC2)C(=O)NC3(CCC3)[CH](O)C(=O)NCc4sccn4
InChi:	InChI=1S/C29H43F2N5O6S/c1-42-17-20(25(39)36-28(10-5-11-28)23(37)27(41)33-16-21-32-14-15-43-21)34-26(40)22(18-6-3-2-4-7-18)35-24(38)19-8-12-29(30,31)13-9-19/h14-15,18-20,22-23,37H,2-13,16-17H2,1H3,(H,33,41)(H,34,40)(H,35,38)(H,36,39)/t20-,22-,23-/m1/s1
Definition date:	2023-10-19
Last modified:	2024-09-27
Release date:	2024-08-28
Identifier:	~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide

XY2

XY2
Name:	N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
Formula:	C12 H15 N5 O4
SMILES:	[O-][N+](=O)c1ccc(c2nonc12)N(CCN(C(=O)C)C)C
InChi:	InChI=1S/C12H15N5O4/c1-8(18)15(2)6-7-16(3)9-4-5-10(17(19)20)12-11(9)13-21-14-12/h4-5H,6-7H2,1-3H3
Definition date:	2005-12-06
Last modified:	2024-09-27
Identifier:	N-methyl-N-{2-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl}acetamide

ZZC

ZZC
Name:	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [[(2R,3R)-2,3-DIHYDROXY-4-OXO-PENTOXY]-OXIDO-PHOSPHORYL] PHOSPHATE
Formula:	C15 H21 N5 O13 P2
SMILES:	CC(=O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C15H23N5O13P2/c1-6(21)10(23)7(22)2-30-34(26,27)33-35(28,29)31-3-8-11(24)12(25)15(32-8)20-5-19-9-13(16)17-4-18-14(9)20/h4-5,7-8,10-12,15,22-25H,2-3H2,1H3,(H,26,27)(H,28,29)(H2,16,17,18)/p-2/t7-,8-,10+,11-,12-,15-/m1/s1
Definition date:	2009-07-23
Last modified:	2024-09-27
Identifier:	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate

UFH

UFH
Name:	2-bromanyl-4-imidazol-1-yl-benzaldehyde
Formula:	C10 H7 Br N2 O
SMILES:	Brc1cc(ccc1C=O)n2ccnc2
InChi:	InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H
Definition date:	2021-02-12
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	2-bromanyl-4-imidazol-1-yl-benzaldehyde

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

S08

S08
Name:	2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
Formula:	C18 H17 B N2 O6
SMILES:	NC(=O)[CH](NC(=O)c1ccc2[CH](CC(O)=O)OB(O)c2c1)c3ccccc3
InChi:	InChI=1S/C18H17BN2O6/c20-17(24)16(10-4-2-1-3-5-10)21-18(25)11-6-7-12-13(8-11)19(26)27-14(12)9-15(22)23/h1-8,14,16,26H,9H2,(H2,20,24)(H,21,25)(H,22,23)/t14-,16+/m0/s1
Synonyms:	2-[(3S)-6-[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid
Definition date:	2020-11-04
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	2-[(3~{S})-6-[[(1~{R})-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid

T8P

T8P
Name:	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Formula:	C13 H18 N2 O2
SMILES:	N2(CCN(c1ccc(cc1)OC)CC2)C(=O)C
InChi:	InChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one

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

XY5

XY5
Name:	2-[[(5~{Z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanal
Formula:	C16 H16 N4 O2
SMILES:	Nc1ccc2CCc3ccc(NCC(O)=O)cc3N=Nc2c1
InChi:	InChI=1S/C16H16N4O2/c17-12-5-3-10-1-2-11-4-6-13(18-9-16(21)22)8-15(11)20-19-14(10)7-12/h3-8,18H,1-2,9,17H2,(H,21,22)/b20-19-
Definition date:	2018-11-27
Last modified:	2024-09-27
Release date:	2019-02-06
Identifier:	2-[[(5~{Z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanoic acid

YFF

YFF
Name:	2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid
Formula:	C15 H19 F N4 O4
SMILES:	FCC(=[N@H])NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O
InChi:	InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1
Synonyms:	o-F-amidine
Definition date:	2011-08-16
Last modified:	2024-09-27
Identifier:	2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid

ZJ1

ZJ1
Name:	(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide
Formula:	C25 H35 N3 O3 S
SMILES:	CC(C)(C)c1ccc(cc1)N(C(c1cccnc1)C(=O)NC1CCCCC1)S(=O)(=O)CC
InChi:	InChI=1S/C25H35N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h9-10,13-18,21,23H,5-8,11-12H2,1-4H3,(H,27,29)/t23-/m1/s1
Definition date:	2021-04-29
Last modified:	2024-09-27
Release date:	2021-12-22
Identifier:	(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide

JUU

JUU
Name:	[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid
Formula:	C18 H22 N2 O3
SMILES:	N[CH](Cc1ccccc1)[CH](O)CN(Cc2ccccc2)C(O)=O
InChi:	InChI=1S/C18H22N2O3/c19-16(11-14-7-3-1-4-8-14)17(21)13-20(18(22)23)12-15-9-5-2-6-10-15/h1-10,16-17,21H,11-13,19H2,(H,22,23)/t16-,17+/m0/s1
Definition date:	2023-08-09
Last modified:	2024-09-27
Release date:	2024-01-31
Identifier:	[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid

T8S

T8S
Name:	1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide
Formula:	C12 H22 N2 O2
SMILES:	N1(CCC(C(N(C(C)C)C)=O)CC1)C(=O)C
InChi:	InChI=1S/C12H22N2O2/c1-9(2)13(4)12(16)11-5-7-14(8-6-11)10(3)15/h9,11H,5-8H2,1-4H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide

YFJ

YFJ
Name:	8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Formula:	C16 H13 N3 O
SMILES:	O=C1NCCc2c1[nH]c3c2cccc3c4ccncc4
InChi:	InChI=1S/C16H13N3O/c20-16-15-13(6-9-18-16)12-3-1-2-11(14(12)19-15)10-4-7-17-8-5-10/h1-5,7-8,19H,6,9H2,(H,18,20)
Definition date:	2023-12-04
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

SFR

SFR
Name:	(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C12 H17 N O6 S
SMILES:	OC(=O)C(C1NC(C(O)=O)=C(S1)C2OCCC2)C(O)C
InChi:	InChI=1S/C12H17NO6S/c1-5(14)7(11(15)16)10-13-8(12(17)18)9(20-10)6-3-2-4-19-6/h5-7,10,13-14H,2-4H2,1H3,(H,15,16)(H,17,18)/t5-,6-,7-,10-/m1/s1
Synonyms:	FAROPENEM, unbound, hydrolyzed form
Definition date:	2007-11-27
Last modified:	2024-09-27
Identifier:	(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid

UFP

UFP
Name:	5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:	C9 H12 F N2 O8 P
SMILES:	FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2'-deoxy-5-fluorouridine 5'-(dihydrogen phosphate)

UTL

UTL
Name:	(1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H36 F N3 O8 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H36FN3O8S2/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2022-09-07
Identifier:	(1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

IN2

IN2
Name:	N,N-DIMETHYLCARBAMOYL-ALPHA-AZALYSINE
Formula:	C8 H18 N4 O3
SMILES:	O=C(NN(C(=O)O)CCCCN)N(C)C
InChi:	InChI=1S/C8H18N4O3/c1-11(2)7(13)10-12(8(14)15)6-4-3-5-9/h3-6,9H2,1-2H3,(H,10,13)(H,14,15)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1-(4-aminobutyl)-2-(dimethylcarbamoyl)hydrazinecarboxylic acid

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