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PWQ

PWQ
Name:	4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid
Formula:	C12 H12 N2 O4
SMILES:	OC(=O)c1ccc(cc1)C=NNC(=O)CCC=O
InChi:	InChI=1S/C12H12N2O4/c15-7-1-2-11(16)14-13-8-9-3-5-10(6-4-9)12(17)18/h3-8H,1-2H2,(H,14,16)(H,17,18)/b13-8+
Definition date:	2020-04-30
Last modified:	2024-09-27
Release date:	2021-01-20
Identifier:	4-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid

ZS9

ZS9
Name:	dehydrocostus lactone, bound form
Formula:	C15 H20 O2
SMILES:	C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C
InChi:	InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1
Definition date:	2023-07-03
Last modified:	2024-09-27
Release date:	2024-07-03
Identifier:	(3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one

TYB

TYB
Name:	TYROSINAL
Formula:	C9 H11 N O2
SMILES:	O=CC(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C9H11NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,6,8,12H,5,10H2/t8-/m0/s1
Definition date:	2000-12-01
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-(4-hydroxyphenyl)propanal

Y8V

Y8V
Name:	(1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C24 H39 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:	InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23-/m0/s1
Definition date:	2021-02-10
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	(1~{S},2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{S},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid

TYC

TYC
Name:	L-TYROSINAMIDE
Formula:	C9 H12 N2 O2
SMILES:	O=C(N)C(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1
Definition date:	2004-12-06
Last modified:	2024-09-27
Identifier:	L-tyrosinamide

Y8Y

Y8Y
Name:	(1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C24 H41 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:	InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23+/m0/s1
Definition date:	2021-02-10
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	(2~{S})-2-[[(2~{S})-2-[[(1~{R},5~{S})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid

ZSC

ZSC
Name:	5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
Formula:	C10 H11 N O6 S
SMILES:	O=S(=O)(N(c1cc(cc(c1)C(=O)O)C(=O)O)C)C
InChi:	InChI=1S/C10H11NO6S/c1-11(18(2,16)17)8-4-6(9(12)13)3-7(5-8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
Definition date:	2011-12-08
Last modified:	2024-09-27
Release date:	2012-11-16
Identifier:	5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid

AWX

AWX
Name:	N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
Formula:	C25 H22 N6 O3
SMILES:	C=[C@H]C(=O)NCc1ccc(cc1)n4c(c2oc3c(c2C)cc(C)cc3)c5c(n4)C(NN=C5N)=O
InChi:	InChI=1S/C25H22N6O3/c1-4-19(32)27-12-15-6-8-16(9-7-15)31-22(20-21(30-31)25(33)29-28-24(20)26)23-14(3)17-11-13(2)5-10-18(17)34-23/h4-11H,1,12H2,2-3H3,(H2,26,28)(H,27,32)(H,29,33)
Definition date:	2018-12-04
Last modified:	2024-09-27
Release date:	2019-10-23
Identifier:	N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide

TYE

TYE
Name:	4-[(2S)-2-amino-3-hydroxypropyl]phenol
Formula:	C9 H13 N O2
SMILES:	Oc1ccc(cc1)CC(N)CO
InChi:	InChI=1S/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m0/s1
Synonyms:	tyrosinol
Definition date:	2010-10-11
Last modified:	2024-09-27
Identifier:	4-[(2S)-2-amino-3-hydroxypropyl]phenol

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

Y91

Y91
Name:	(1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C24 H41 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:	InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23-/m0/s1
Definition date:	2021-02-10
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	(2~{S})-2-[[(2~{S})-2-[[(1~{R},5~{S})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid

TYF

TYF
Name:	(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
Formula:	C9 H10 O4
SMILES:	O=C(O)C(O)Cc1ccc(O)cc1
InChi:	InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m0/s1
Definition date:	2013-10-01
Last modified:	2024-09-27
Release date:	2013-10-30
Identifier:	(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

LEA

LEA
Name:	PENTANOIC ACID
Formula:	C5 H10 O2
SMILES:	O=C(O)CCCC
InChi:	InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
Synonyms:	VALERIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	pentanoic acid

XSA

XSA
Name:	(2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid
Formula:	C6 H15 B N2 O4
SMILES:	C(C(O)=O)(NCCN)CCB(O)O
InChi:	InChI=1S/C6H15BN2O4/c8-3-4-9-5(6(10)11)1-2-7(12)13/h5,9,12-13H,1-4,8H2,(H,10,11)/t5-/m1/s1
Definition date:	2021-01-08
Last modified:	2024-09-27
Release date:	2022-02-09
Identifier:	(2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid

PWW

PWW
Name:	4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid
Formula:	C13 H14 N2 O4
SMILES:	OC(=O)c1ccc(cc1)C=NNC(=O)CCCC=O
InChi:	InChI=1S/C13H14N2O4/c16-8-2-1-3-12(17)15-14-9-10-4-6-11(7-5-10)13(18)19/h4-9H,1-3H2,(H,15,17)(H,18,19)/b14-9+
Definition date:	2020-04-30
Last modified:	2024-09-27
Release date:	2021-01-20
Identifier:	4-[(~{E})-(5-oxidanylidenepentanoylhydrazinylidene)methyl]benzoic acid

TYI

TYI
Name:	3,5-DIIODOTYROSINE
Formula:	C9 H9 I2 N O3
SMILES:	Ic1cc(cc(I)c1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3,5-diiodo-L-tyrosine

ZSL

ZSL
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C16 H23 N5 O13 P2 S
SMILES:	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3SCOC3C2O)C(O)C1O
InChi:	InChI=1S/C16H23N5O13P2S/c17-13-8-14(19-3-18-13)21(4-20-8)15-11(24)9(22)6(32-15)1-30-35(25,26)34-36(27,28)31-2-7-10(23)12-16(33-7)37-5-29-12/h3-4,6-7,9-12,15-16,22-24H,1-2,5H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16-/m1/s1
Definition date:	2023-03-29
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)

W0L

W0L
Name:	(1R,2S,5S)-3-[bis(4-chlorophenyl)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C29 H33 Cl2 N3 O4
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChi:	InChI=1S/C29H33Cl2N3O4/c1-29(2)22-14-34(25(24(22)29)27(37)33-21(15-35)13-18-11-12-32-26(18)36)28(38)23(16-3-7-19(30)8-4-16)17-5-9-20(31)10-6-17/h3-10,18,21-25,35H,11-15H2,1-2H3,(H,32,36)(H,33,37)/t18-,21-,22-,24-,25-/m0/s1
Definition date:	2023-09-21
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	(1R,2S,5S)-3-[bis(4-chlorophenyl)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

TYJ

TYJ
Name:	2,5-dihydroxy-N-methyl-L-tyrosine
Formula:	C10 H13 N O5
SMILES:	O=C(O)C(NC)Cc1c(O)cc(O)c(O)c1
InChi:	InChI=1S/C10H13NO5/c1-11-6(10(15)16)2-5-3-8(13)9(14)4-7(5)12/h3-4,6,11-14H,2H2,1H3,(H,15,16)/t6-/m0/s1
Definition date:	2011-02-09
Last modified:	2024-09-27
Identifier:	2,5-dihydroxy-N-methyl-L-tyrosine

LED

LED
Name:	(4R)-5-OXO-L-LEUCINE
Formula:	C6 H11 N O3
SMILES:	O=CC(C)CC(N)C(=O)O
InChi:	InChI=1S/C6H11NO3/c1-4(3-8)2-5(7)6(9)10/h3-5H,2,7H2,1H3,(H,9,10)/t4-,5+/m1/s1
Definition date:	2006-06-07
Last modified:	2024-09-27
Identifier:	(4R)-5-oxo-L-leucine

KL8

KL8
Name:	(3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
Formula:	C16 H16 B O5 S
SMILES:	OC(=O)c1cccc2C[CH](SCc3ccccc3)[B-](O)(O)Oc12
InChi:	InChI=1S/C16H16BO5S/c18-16(19)13-8-4-7-12-9-14(17(20,21)22-15(12)13)23-10-11-5-2-1-3-6-11/h1-8,14,20-21H,9-10H2,(H,18,19)/q-1/t14-/m1/s1
Definition date:	2019-06-04
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	(4~{S})-3,3-bis(oxidanyl)-4-(phenylmethylsulfanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid

V61

V61
Name:	2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine
Formula:	C9 H6 F4 I N O2
SMILES:	c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F
InChi:	InChI=1S/C9H6F4INO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
Definition date:	2020-07-06
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine

ZSN

ZSN
Name:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
Formula:	C3 H7 N3 O3
SMILES:	O=C(N)CN(N)C(=O)O
InChi:	InChI=1S/C3H7N3O3/c4-2(7)1-6(5)3(8)9/h1,5H2,(H2,4,7)(H,8,9)
Synonyms:	Aza-asparagine
Definition date:	2012-06-01
Last modified:	2024-09-27
Release date:	2013-06-26
Identifier:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid

LEF

LEF
Name:	(4S)-5-FLUORO-L-LEUCINE
Formula:	C6 H12 F N O2
SMILES:	FCC(CC(N)C(=O)O)C
InChi:	InChI=1S/C6H12FNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
Definition date:	2003-05-13
Last modified:	2024-09-27
Identifier:	(4S)-5-fluoro-L-leucine

QBV

QBV
Name:	(2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid
Formula:	C9 H7 Br O3
SMILES:	C([C@H]=Cc1ccc(c(c1)Br)O)(O)=O
InChi:	InChI=1S/C9H7BrO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+
Definition date:	2019-10-11
Last modified:	2024-09-27
Release date:	2020-07-15
Identifier:	(2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid

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