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P1T

P1T
Name:	2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID
Formula:	C11 H15 N2 O7 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1CNC(=C)/C(=O)O)C
InChi:	InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,13-14H,2,4-5H2,1H3,(H,15,16)(H2,17,18,19)
Definition date:	2006-09-05
Last modified:	2024-09-27
Identifier:	2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]prop-2-enoic acid

V2Q

V2Q
Name:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
Formula:	C12 H13 N O3
SMILES:	COC1CN(C1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde

PHK

PHK
Name:	(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL
Formula:	C10 H14 Cl N O
SMILES:	ClCC(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C10H14ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2/t9-,10-/m0/s1
Definition date:	2002-10-01
Last modified:	2024-09-27
Identifier:	(2R,3S)-3-amino-1-chloro-4-phenylbutan-2-ol

NF8

NF8
Name:	(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
Formula:	C6 H11 F O4
SMILES:	OC[CH]1OC[CH](F)[CH](O)[CH]1O
InChi:	InChI=1S/C6H11FO4/c7-3-2-11-4(1-8)6(10)5(3)9/h3-6,8-10H,1-2H2/t3-,4+,5+,6+/m0/s1
Definition date:	2019-11-27
Last modified:	2024-09-27
Release date:	2020-06-10
Identifier:	(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol

PHL

PHL
Name:	L-PHENYLALANINOL
Formula:	C9 H13 N O
SMILES:	OCC(N)Cc1ccccc1
InChi:	InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
Synonyms:	bound form of Phenylalaninal
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-phenylpropan-1-ol

NF9

NF9
Name:	2-chloranyl-N-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide
Formula:	C21 H29 Cl2 N3 O3
SMILES:	ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3
InChi:	InChI=1S/C21H29Cl2N3O3/c22-15-19(27)24-10-5-16-6-11-26(12-7-16)20(28)21(8-13-29-14-9-21)25-18-3-1-17(23)2-4-18/h1-4,16,25H,5-15H2,(H,24,27)
Definition date:	2022-08-17
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide

P1V

P1V
Name:	(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
Formula:	C9 H16 N4 O2
SMILES:	Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1
InChi:	InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
Definition date:	2022-09-29
Last modified:	2024-09-27
Release date:	2023-01-11
Identifier:	(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid

RH5

RH5
Name:	4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
Formula:	C21 H20 B N3 O3
SMILES:	NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4B(O)O3
InChi:	InChI=1S/C21H20BN3O3/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19/h1-9,11-12,19,26H,10,13H2,(H3,23,24)/t19-/m1/s1
Definition date:	2019-08-16
Last modified:	2024-09-27
Release date:	2019-09-25
Identifier:	4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide

V2T

V2T
Name:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide
Formula:	C12 H11 N3 O2
SMILES:	Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1
InChi:	InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17)
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide

N10

N10
Name:	O-[(HEXYLAMINO)CARBONYL]-L-SERINE
Formula:	C10 H20 N2 O4
SMILES:	O=C(O)C(N)COC(=O)NCCCCCC
InChi:	InChI=1S/C10H20N2O4/c1-2-3-4-5-6-12-10(15)16-7-8(11)9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
Definition date:	2007-05-31
Last modified:	2024-09-27
Identifier:	O-(hexylcarbamoyl)-L-serine

RH6

RH6
Name:	(2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form
Formula:	C16 H19 N O2
SMILES:	CCN(CC)c1ccc2C=C(C=CC)C(=O)Oc2c1
InChi:	InChI=1S/C16H19NO2/c1-4-7-13-10-12-8-9-14(17(5-2)6-3)11-15(12)19-16(13)18/h4,7-11H,5-6H2,1-3H3/b7-4+
Definition date:	2022-06-23
Last modified:	2024-09-27
Release date:	2023-02-01
Identifier:	7-(diethylamino)-3-[(1E)-prop-1-en-1-yl]-2H-1-benzopyran-2-one

TJI

TJI
Name:	ethyl 3-bromanyl-2-methyl-propanoate
Formula:	C6 H11 Br O2
SMILES:	CCOC(=O)[CH](C)CBr
InChi:	InChI=1S/C6H11BrO2/c1-3-9-6(8)5(2)4-7/h5H,3-4H2,1-2H3/t5-/m0/s1
Synonyms:	Ethyl 2-(bromomethyl)acrylate (precursor)
Definition date:	2023-01-06
Last modified:	2024-09-27
Release date:	2023-11-01
Identifier:	ethyl 3-bromanyl-2-methyl-propanoate

1S6

1S6
Name:	(2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid
Formula:	C19 H21 N3 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C
InChi:	InChI=1S/C19H21N3O5S/c1-10-13(14(22-27-10)11-7-5-4-6-8-11)16(24)20-12(9-23)17-21-15(18(25)26)19(2,3)28-17/h4-9,12,15,17,21H,1-3H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
Synonyms:	Oxacillin, bound form
Definition date:	2013-05-15
Last modified:	2024-09-27
Release date:	2013-10-09
Identifier:	(2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid

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:	2024-09-27
Release date:	2023-11-15
Identifier:	(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide

PHQ

PHQ
Name:	benzyl chlorocarbonate
Formula:	C8 H7 Cl O2
SMILES:	ClC(=O)OCc1ccccc1
InChi:	InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
Definition date:	1999-07-15
Last modified:	2024-09-27
Identifier:	benzyl carbonochloridate

RVJ

RVJ
Name:	3-triazan-1-yl-L-alanine
Formula:	C3 H10 N4 O2
SMILES:	NC(CNNN)C(=O)O
InChi:	InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1
Definition date:	2020-02-26
Last modified:	2024-09-27
Release date:	2020-07-01
Identifier:	3-triazan-1-yl-L-alanine

1S7

1S7
Name:	(2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C15 H16 N2 O5 S2
SMILES:	O=CC(OC)(NC(=O)Cc1sccc1)C2N=C(C(=O)O)C(=C)CS2
InChi:	InChI=1S/C15H16N2O5S2/c1-9-7-24-14(16-12(9)13(20)21)15(8-18,22-2)17-11(19)6-10-4-3-5-23-10/h3-5,8,14H,1,6-7H2,2H3,(H,17,19)(H,20,21)/t14-,15+/m1/s1
Synonyms:	Cefoxitin, bound form
Definition date:	2013-05-15
Last modified:	2024-09-27
Release date:	2014-10-29
Identifier:	(2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

TJK

TJK
Name:	2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde
Formula:	C16 H9 Br2 F N2 O
SMILES:	Fc1ccc(Br)cc1c2nccn2c3ccc(C=O)c(Br)c3
InChi:	InChI=1S/C16H9Br2FN2O/c17-11-2-4-15(19)13(7-11)16-20-5-6-21(16)12-3-1-10(9-22)14(18)8-12/h1-9H
Synonyms:	PC2068B
Definition date:	2020-12-22
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde

WD3

WD3
Name:	3-[2-[[5-chloranyl-2-[(3-fluorophenyl)methylamino]phenyl]methyl]-4-oxidanylidene-3~{H}-quinazolin-7-yl]prop-2-enoic acid
Formula:	C25 H19 Cl F N3 O3
SMILES:	OC(=O)C=Cc1ccc2C(=O)NC(=Nc2c1)Cc3cc(Cl)ccc3NCc4cccc(F)c4
InChi:	InChI=1S/C25H19ClFN3O3/c26-18-6-8-21(28-14-16-2-1-3-19(27)10-16)17(12-18)13-23-29-22-11-15(5-9-24(31)32)4-7-20(22)25(33)30-23/h1-12,28H,13-14H2,(H,31,32)(H,29,30,33)/b9-5+
Definition date:	2023-09-29
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	3-[2-[[5-chloranyl-2-[(3-fluorophenyl)methylamino]phenyl]methyl]-4-oxidanylidene-3~{H}-quinazolin-7-yl]prop-2-enoic acid

NFF

NFF
Name:	(2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C21 H24 N2 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c2ccccc2ccc3OCC
InChi:	InChI=1S/C21H24N2O5S/c1-4-28-15-10-9-12-7-5-6-8-13(12)16(15)18(25)22-14(11-24)19-23-17(20(26)27)21(2,3)29-19/h5-11,14,17,19,23H,4H2,1-3H3,(H,22,25)(H,26,27)/t14-,17+,19-/m1/s1
Synonyms:	Nafcillin, bound form
Definition date:	2010-06-28
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

PHT

PHT
Name:	PHTHALIC ACID
Formula:	C8 H6 O4
SMILES:	O=C(O)c1ccccc1C(=O)O
InChi:	InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	benzene-1,2-dicarboxylic acid

P23

P23
Name:	PROPYL TRIHYDROGEN DIPHOSPHATE
Formula:	C3 H10 O7 P2
SMILES:	O=P(O)(OP(=O)(OCCC)O)O
InChi:	InChI=1S/C3H10O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h2-3H2,1H3,(H,7,8)(H2,4,5,6)
Definition date:	2004-07-01
Last modified:	2024-09-27
Identifier:	propyl trihydrogen diphosphate

QAO

QAO
Name:	2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide
Formula:	C23 H19 Cl2 F6 N3 O2 S
SMILES:	FS(F)(F)(F)(F)c1ccc(cc1)N(C(=O)C(Cl)Cl)C(c1cccnc1)C(=O)NCCc1cccc(F)c1
InChi:	InChI=1S/C23H19Cl2F6N3O2S/c24-21(25)23(36)34(18-6-8-19(9-7-18)37(27,28,29,30)31)20(16-4-2-11-32-14-16)22(35)33-12-10-15-3-1-5-17(26)13-15/h1-9,11,13-14,20-21H,10,12H2,(H,33,35)/t20-/m1/s1
Definition date:	2022-06-03
Last modified:	2024-09-27
Release date:	2023-06-07
Identifier:	2,2-dichloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide

LDH

LDH
Name:	N~6~-ETHYL-L-LYSINE
Formula:	C8 H18 N2 O2
SMILES:	O=C(O)C(N)CCCCNCC
InChi:	InChI=1S/C8H18N2O2/c1-2-10-6-4-3-5-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-/m0/s1
Definition date:	2007-07-09
Last modified:	2024-09-27
Identifier:	N~6~-ethyl-L-lysine

V32

V32
Name:	4-morpholin-4-ylcarbonylbenzaldehyde
Formula:	C12 H13 N O3
SMILES:	O=Cc1ccc(cc1)C(=O)N2CCOCC2
InChi:	InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-morpholin-4-ylcarbonylbenzaldehyde

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