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UJL

UJL
Name:	1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine
Formula:	C9 H13 N O S
SMILES:	CNC[CH]1OCCc2ccsc12
InChi:	InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1
Synonyms:	Ulotaront
Definition date:	2023-06-07
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine

UJU

UJU
Name:	5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide
Formula:	C17 H22 N4 O2
SMILES:	CCc1[nH]nc(C(=O)Nc2ccc(cc2)[CH]3CNCCO3)c1C
InChi:	InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1
Synonyms:	Ralmitaront
Definition date:	2023-06-07
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide

JFF

JFF
Name:	(2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid
Formula:	C19 H26 Cl N5 O6 S
SMILES:	NCC(CN)=C(SCC(NC(O)=O)C(O)=O)c1ccc(cc1)C(=O)NCCNC(=O)CCl
InChi:	InChI=1S/C19H26ClN5O6S/c20-7-15(26)23-5-6-24-17(27)12-3-1-11(2-4-12)16(13(8-21)9-22)32-10-14(18(28)29)25-19(30)31/h1-4,14,25H,5-10,21-22H2,(H,23,26)(H,24,27)(H,28,29)(H,30,31)
Definition date:	2022-08-10
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	(2~{R})-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid

JJ9

JJ9
Name:	N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide
Formula:	C15 H15 N3 O3 S
SMILES:	CC(=O)NCCNC(=O)c1ccc(cc1)c2scc(C=O)n2
InChi:	InChI=1S/C15H15N3O3S/c1-10(20)16-6-7-17-14(21)11-2-4-12(5-3-11)15-18-13(8-19)9-22-15/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,17,21)
Definition date:	2022-08-18
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	~{N}-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide

E5I

E5I
Name:	(1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone
Formula:	C29 H38 N2 O6
SMILES:	CC[CH]1C[CH]2C[CH]3[CH]4CC=CC(=O)NCC[CH](O)[CH]5NC(=O)C(=C(O)C=C[CH]4CC(=O)[CH]3[CH]2[CH]1C)C5=O
InChi:	InChI=1S/C29H38N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21,24-25,27,32-33H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,26-20-/t14-,15+,16+,17+,18-,19+,21-,24+,25-,27-/m0/s1
Synonyms:	10-Epi-maltophilin
Definition date:	2023-06-14
Last modified:	2023-11-10
Release date:	2023-11-15

VRK

VRK
Name:	(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol
Formula:	C20 H27 N O3
SMILES:	NC[CH]1O[CH](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4
InChi:	InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11-,12+,13-,17-,18-,20-/m1/s1
Definition date:	2023-08-09
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol

W0Z

W0Z
Name:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide
Formula:	C13 H13 F2 N3 O4
SMILES:	COc1c(N)c(F)cc(C(=O)N[CH]2CCC(=O)NC2=O)c1F
InChi:	InChI=1S/C13H13F2N3O4/c1-22-11-9(15)5(4-6(14)10(11)16)12(20)17-7-2-3-8(19)18-13(7)21/h4,7H,2-3,16H2,1H3,(H,17,20)(H,18,19,21)/t7-/m0/s1
Definition date:	2023-04-24
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide

W1B

W1B
Name:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide
Formula:	C12 H13 N3 O4
SMILES:	Nc1ccc(c(O)c1)C(=O)N[CH]2CCC(=O)NC2=O
InChi:	InChI=1S/C12H13N3O4/c13-6-1-2-7(9(16)5-6)11(18)14-8-3-4-10(17)15-12(8)19/h1-2,5,8,16H,3-4,13H2,(H,14,18)(H,15,17,19)/t8-/m0/s1
Definition date:	2023-04-24
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide

W1F

W1F
Name:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide
Formula:	C13 H15 N3 O4
SMILES:	COc1cc(N)ccc1C(=O)N[CH]2CCC(=O)NC2=O
InChi:	InChI=1S/C13H15N3O4/c1-20-10-6-7(14)2-3-8(10)12(18)15-9-4-5-11(17)16-13(9)19/h2-3,6,9H,4-5,14H2,1H3,(H,15,18)(H,16,17,19)/t9-/m0/s1
Definition date:	2023-04-24
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide

W1T

W1T
Name:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide
Formula:	C12 H12 F N3 O3
SMILES:	Nc1ccc(c(F)c1)C(=O)N[CH]2CCC(=O)NC2=O
InChi:	InChI=1S/C12H12FN3O3/c13-8-5-6(14)1-2-7(8)11(18)15-9-3-4-10(17)16-12(9)19/h1-2,5,9H,3-4,14H2,(H,15,18)(H,16,17,19)/t9-/m0/s1
Definition date:	2023-04-24
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide

W1X

W1X
Name:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide
Formula:	C13 H12 F3 N3 O3
SMILES:	Nc1ccc(C(=O)N[CH]2CCC(=O)NC2=O)c(c1)C(F)(F)F
InChi:	InChI=1S/C13H12F3N3O3/c14-13(15,16)8-5-6(17)1-2-7(8)11(21)18-9-3-4-10(20)19-12(9)22/h1-2,5,9H,3-4,17H2,(H,18,21)(H,19,20,22)/t9-/m0/s1
Definition date:	2023-04-24
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide

W26

W26
Name:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide
Formula:	C13 H15 N3 O3
SMILES:	Cc1cc(N)ccc1C(=O)N[CH]2CCC(=O)NC2=O
InChi:	InChI=1S/C13H15N3O3/c1-7-6-8(14)2-3-9(7)12(18)15-10-4-5-11(17)16-13(10)19/h2-3,6,10H,4-5,14H2,1H3,(H,15,18)(H,16,17,19)/t10-/m0/s1
Definition date:	2023-04-25
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide

W2F

W2F
Name:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide
Formula:	C12 H12 Cl N3 O3
SMILES:	Nc1ccc(c(Cl)c1)C(=O)N[CH]2CCC(=O)NC2=O
InChi:	InChI=1S/C12H12ClN3O3/c13-8-5-6(14)1-2-7(8)11(18)15-9-3-4-10(17)16-12(9)19/h1-2,5,9H,3-4,14H2,(H,15,18)(H,16,17,19)/t9-/m0/s1
Definition date:	2023-04-25
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide

WIY

WIY
Name:	4,4,4-trifluorobutan-1-ol
Formula:	C4 H7 F3 O
SMILES:	FC(F)(F)CCCO
InChi:	InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2
Definition date:	2023-05-15
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	4,4,4-trifluorobutan-1-ol

V2X

V2X
Name:	(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide
Formula:	C13 H16 N2 O2
SMILES:	CC(=O)NNC(=O)[CH]1C[CH]1c2cccc(C)c2
InChi:	InChI=1S/C13H16N2O2/c1-8-4-3-5-10(6-8)11-7-12(11)13(17)15-14-9(2)16/h3-6,11-12H,7H2,1-2H3,(H,14,16)(H,15,17)/t11-,12+/m1/s1
Definition date:	2023-02-21
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide

X3I

X3I
Name:	(5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)
Formula:	C28 H43 F O2
SMILES:	FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCC#C
InChi:	InChI=1S/C28H43FO2/c1-5-16-31-22-12-14-27(3)20(17-22)7-9-23-25-11-10-24(19(2)6-8-21(30)18-29)28(25,4)15-13-26(23)27/h1,19-20,22-26H,6-18H2,2-4H3/t19-,20-,22-,23+,24-,25+,26+,27+,28-/m1/s1
Definition date:	2022-10-26
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	(5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)

E9V

E9V
Name:	N-methyl-L-histidine
Formula:	C7 H11 N3 O2
SMILES:	CNC(Cc1cnc[NH]1)C(=O)O
InChi:	InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
Definition date:	2017-12-14
Last modified:	2023-11-08
Release date:	2018-04-18
Identifier:	N-methyl-L-histidine

XY9

XY9
Name:	2,3,4-tri-O-sulfo-beta-D-xylopyranose
Formula:	C5 H10 O14 S3
SMILES:	OC1OCC(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:	InChI=1S/C5H10O14S3/c6-5-4(19-22(13,14)15)3(18-21(10,11)12)2(1-16-5)17-20(7,8)9/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-/m1/s1
Definition date:	2022-08-09
Last modified:	2023-11-06
Release date:	2023-07-12
Identifier:	2,3,4-tri-O-sulfo-beta-D-xylopyranose

XQZ

XQZ
Name:	N-T-Butylhydroxylamine
Formula:	C4 H11 N O
SMILES:	CC(C)(C)NO
InChi:	InChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3
Synonyms:	N-hydroxy-2-methylpropan-2-amine
Definition date:	2022-12-05
Last modified:	2023-11-06
Release date:	2023-07-12
Identifier:	N-hydroxy-2-methylpropan-2-amine

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:	2023-11-03
Release date:	2014-03-26
Identifier:	4-{(E)-[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl}benzoic acid

XYC

XYC
Name:	(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid
Formula:	C8 H15 N O2
SMILES:	N[CH](CC1CCCC1)C(O)=O
InChi:	InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
Definition date:	2016-06-10
Last modified:	2023-11-03
Release date:	2017-05-31
Identifier:	(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid

G1X

G1X
Name:	(2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid
Formula:	C9 H9 N O4
SMILES:	N[CH](CC1=CC(=O)C(=O)C=C1)C(O)=O
InChi:	InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1
Synonyms:	L-dopaquinone
Definition date:	2020-07-15
Last modified:	2023-11-03
Release date:	2021-06-16
Identifier:	(2~{S})-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid

XYX

XYX
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide
Formula:	C24 H23 B N O5
SMILES:	CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1
Definition date:	2023-06-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide

YHA

YHA
Name:	Homocitrulline
Formula:	C7 H15 N3 O3
SMILES:	NC(CCCCNC(N)=O)C(=O)O
InChi:	InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
Synonyms:	N~6~-carbamoyl-L-lysine
Definition date:	2021-03-04
Last modified:	2023-11-03
Release date:	2022-05-25
Identifier:	N~6~-carbamoyl-L-lysine

XZC

XZC
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide
Formula:	C23 H23 B N O5
SMILES:	COc1cccc(c1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C23H23BNO5/c1-29-21-10-4-7-18(14-21)17-6-3-9-20(13-17)25-22(26)12-11-16-5-2-8-19-15-30-24(27,28)23(16)19/h2-10,13-14,27-28H,11-12,15H2,1H3,(H,25,26)/q-1
Definition date:	2023-06-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide

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