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PZN

PZN
Name:	3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION
Formula:	C28 H44 N7 O6
SMILES:	[O-]C(=O)CC(C(=O)CN(CCCCCC)C)NC(=O)C(N1C(=O)C(=NC(=C1)C(C)(C)C)NCc2nonc2C)CC
InChi:	InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/p-1/t19-,21-/m0/s1
Definition date:	2003-11-19
Last modified:	2024-09-27
Identifier:	(3S)-3-({(2S)-2-[5-tert-butyl-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxopyrazin-1(2H)-yl]butanoyl}amino)-5-[hexyl(methyl)amino]-4-oxopentanoate

4NF

4NF
Name:	N-(4-nitrophenyl)thioformamide
Formula:	C7 H6 N2 O2 S
SMILES:	S=CNc1ccc(cc1)[N+]([O-])=O
InChi:	InChI=1S/C7H6N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-5H,(H,8,12)
Synonyms:	4-NITROPHENYL ISOTHIOCYANATE, bound form
Definition date:	2012-04-08
Last modified:	2024-09-27
Release date:	2012-12-07
Identifier:	N-(4-nitrophenyl)thioformamide

USX

USX
Name:	2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide
Formula:	C20 H20 N2 O5
SMILES:	COc1cc(C[CH]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O
InChi:	InChI=1S/C20H20N2O5/c1-12(23)22-15-6-4-3-5-14(15)20(25)16(22)9-13-7-8-17(18(10-13)26-2)27-11-19(21)24/h3-8,10,16H,9,11H2,1-2H3,(H2,21,24)/t16-/m0/s1
Definition date:	2023-06-19
Last modified:	2024-09-27
Release date:	2024-06-19
Identifier:	2-[4-[[(2~{S})-1-ethanoyl-3-oxidanylidene-2~{H}-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide

MPQ

MPQ
Name:	N-METHYL-ALPHA-PHENYL-GLYCINE
Formula:	C9 H11 N O2
SMILES:	O=C(O)C(NC)c1ccccc1
InChi:	InChI=1S/C9H11NO2/c1-10-8(9(11)12)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)/t8-/m0/s1
Synonyms:	METHYLAMINO-PHENYL-ACETIC ACID
Definition date:	1999-10-15
Last modified:	2024-09-27
Identifier:	(2S)-(methylamino)(phenyl)ethanoic acid

TA4

TA4
Name:	(S)-2-[4-(AMINOMETHYL)-1H-1,2,3-TRIAZOL-1-YL]-4-METHYLPENTANOIC ACID
Formula:	C9 H16 N4 O2
SMILES:	O=C(O)C(n1nnc(c1)CN)CC(C)C
InChi:	InChI=1S/C9H16N4O2/c1-6(2)3-8(9(14)15)13-5-7(4-10)11-12-13/h5-6,8H,3-4,10H2,1-2H3,(H,14,15)/t8-/m0/s1
Definition date:	2004-08-13
Last modified:	2024-09-27
Identifier:	(2S)-2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-4-methylpentanoic acid

SEI

SEI
Name:	1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE
Formula:	C29 H37 F5 N4 O6
SMILES:	O=C(c2ccc(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)C(F)(F)C(F)(F)F)C(C)C)CCC1)C(C)C)cc2)N3CCOCC3
InChi:	InChI=1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21-,22-/m0/s1
Synonyms:	MDL 101,146
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-{[4-(morpholin-4-ylcarbonyl)phenyl]carbonyl}-L-valyl-N-[(1S)-3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl]-L-prolinamide

MPR

MPR
Name:	2-MERCAPTO-PROPION ALDEHYDE
Formula:	C3 H6 O S
SMILES:	O=CCCS
InChi:	InChI=1S/C3H6OS/c4-2-1-3-5/h2,5H,1,3H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-sulfanylpropanal

T81

T81
Name:	1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C11 H15 Br N2 O S
SMILES:	N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Br
InChi:	InChI=1S/C11H15BrN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one

USZ

USZ
Name:	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide
Formula:	C28 H32 F N3 O2
SMILES:	CCC(=O)N([CH](C(=O)NCCc1cccc(F)c1)c2cccnc2)c3ccc(cc3)C(C)(C)C
InChi:	InChI=1S/C28H32FN3O2/c1-5-25(33)32(24-13-11-22(12-14-24)28(2,3)4)26(21-9-7-16-30-19-21)27(34)31-17-15-20-8-6-10-23(29)18-20/h6-14,16,18-19,26H,5,15,17H2,1-4H3,(H,31,34)/t26-/m1/s1
Definition date:	2021-03-16
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide

NX6

NX6
Name:	N-[(benzyloxy)carbonyl]-L-aspartic acid
Formula:	C12 H13 N O6
SMILES:	O=C(O)C(NC(=O)OCc1ccccc1)CC(=O)O
InChi:	InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
Definition date:	2011-01-26
Last modified:	2024-09-27
Identifier:	N-[(benzyloxy)carbonyl]-L-aspartic acid

MRJ

MRJ
Name:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C23 H46 N3 O8 P
SMILES:	OP(O)(=O)OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCC)=O)C
InChi:	InChI=1S/C23H46N3O8P/c1-4-5-6-7-8-9-10-11-12-13-19(27)24-16-17-25-20(28)14-15-26-22(30)21(29)23(2,3)18-34-35(31,32)33/h21,29H,4-18H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H2,31,32,33)/t21-/m0/s1
Definition date:	2019-04-15
Last modified:	2024-09-27
Release date:	2020-04-15
Identifier:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

MPT

MPT
Name:	BETA-MERCAPTOPROPIONIC ACID
Formula:	C3 H6 O2 S
SMILES:	O=C(O)CCS
InChi:	InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
Definition date:	2001-01-26
Last modified:	2024-09-27
Identifier:	3-sulfanylpropanoic acid

SEL

SEL
Name:	2-AMINO-1,3-PROPANEDIOL
Formula:	C3 H9 N O2
SMILES:	OCC(N)CO
InChi:	InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2
Synonyms:	SERINOL
Definition date:	1999-10-14
Last modified:	2024-09-27
Identifier:	2-aminopropane-1,3-diol

W3F

W3F
Name:	(3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide
Formula:	C30 H27 F N4 O5
SMILES:	O=C(Nc1c(C)c(/C=C2/c3cc(ccc3NC2=O)C(=O)NC(C)c2ccc(F)cc2)[NH]c1C)C(O)c1ccco1
InChi:	InChI=1S/C30H27FN4O5/c1-15-24(32-17(3)26(15)35-30(39)27(36)25-5-4-12-40-25)14-22-21-13-19(8-11-23(21)34-29(22)38)28(37)33-16(2)18-6-9-20(31)10-7-18/h4-14,16,27,32,36H,1-3H3,(H,33,37)(H,34,38)(H,35,39)/b22-14-/t16-,27+/m1/s1
Definition date:	2023-09-22
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	(3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide

SEM

SEM
Name:	O-benzyl-L-serine
Formula:	C10 H13 N O3
SMILES:	O=C(O)C(N)COCc1ccccc1
InChi:	InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
Synonyms:	(2S)-2-azanyl-3-phenylmethoxy-propanoic acid
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	O-benzyl-L-serine

T84

T84
Name:	1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C11 H16 N2 O S
SMILES:	N1(CCN(CC1)C(C)=O)Cc2ccsc2
InChi:	InChI=1S/C11H16N2OS/c1-10(14)13-5-3-12(4-6-13)8-11-2-7-15-9-11/h2,7,9H,3-6,8H2,1H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one

T85

T85
Name:	2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C16 H11 I N2 O
SMILES:	Ic1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H11IN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
Definition date:	2022-12-22
Last modified:	2024-09-27
Release date:	2023-06-14
Identifier:	2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

SEN

SEN
Name:	O-[N,N-dimethylphosphoramidate]-L-serine
Formula:	C5 H13 N2 O5 P
SMILES:	O=P(O)(OCC(N)C(=O)O)N(C)C
InChi:	InChI=1S/C5H13N2O5P/c1-7(2)13(10,11)12-3-4(6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2008-06-27
Last modified:	2024-09-27
Identifier:	O-[(S)-(dimethylamino)(hydroxy)phosphoryl]-L-serine

P8C

P8C
Name:	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C24 H40 F2 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C24H38F2N3O8S/c1-13(2)9-18(21(31)28-19(22(32)38(34,35)36)11-15-5-8-27-20(15)30)29-23(33)37-12-16-10-17(16)14-3-6-24(25,26)7-4-14/h13-19,22,32H,3-12H2,1-2H3,(H3-2,27,28,29,30,31,33,34,35,36)/q-1/p+2/t15-,16+,17+,18-,19-,22+/m0/s1
Definition date:	2022-05-26
Last modified:	2024-09-27
Release date:	2022-06-22
Identifier:	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

W1L

W1L
Name:	(1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
Formula:	C28 H32 Cl2 N4 O4
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChi:	InChI=1S/C28H32Cl2N4O4/c1-28(2)22-14-33(24(23(22)28)26(37)32-19(15-35)13-16-11-12-31-25(16)36)27(38)34(20-7-3-17(29)4-8-20)21-9-5-18(30)6-10-21/h3-10,16,19,22-24,35H,11-15H2,1-2H3,(H,31,36)(H,32,37)/t16-,19-,22-,23-,24-/m0/s1
Definition date:	2023-09-21
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	(1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxamide

L3O

L3O
Name:	(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid
Formula:	C7 H15 N O3
SMILES:	O=C(O)C(O)C(N)CC(C)C
InChi:	InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
Definition date:	2009-05-03
Last modified:	2024-09-27
Identifier:	(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid

NXA

NXA
Name:	N-CARBOXYALANINE
Formula:	C4 H7 N O4
SMILES:	O=C(O)C(NC(=O)O)C
InChi:	InChI=1S/C4H7NO4/c1-2(3(6)7)5-4(8)9/h2,5H,1H3,(H,6,7)(H,8,9)/t2-/m0/s1
Definition date:	2002-11-26
Last modified:	2024-09-27
Identifier:	N-carboxy-L-alanine

QTU

QTU
Name:	3-(thiophen-2-yl)propanoic acid
Formula:	C7 H8 O2 S
SMILES:	C(CCc1cccs1)(=O)O
InChi:	InChI=1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
Definition date:	2020-09-13
Last modified:	2024-09-27
Release date:	2021-10-06
Identifier:	3-(thiophen-2-yl)propanoic acid

R7Q

R7Q
Name:	2-methyl-1-(4-methylphenyl)propan-1-one
Formula:	C11 H14 O
SMILES:	CC(C)C(=O)c1ccc(C)cc1
InChi:	InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Synonyms:	2,4'-Dimethylpropiophenone
Definition date:	2020-09-17
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	2-methyl-1-(4-methylphenyl)propan-1-one

N63

N63
Name:	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
Formula:	C22 H30 F3 N3 O8 S
SMILES:	FC(F)(F)c1cccc(c1)COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C22H30F3N3O8S/c1-12(2)8-16(28-21(32)36-11-13-4-3-5-15(9-13)22(23,24)25)19(30)27-17(20(31)37(33,34)35)10-14-6-7-26-18(14)29/h3-5,9,12,14,16-17,20,31H,6-8,10-11H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t14-,16-,17-,20?/m0/s1
Definition date:	2022-01-19
Last modified:	2024-09-27
Release date:	2022-05-04
Identifier:	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid

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243531

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