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L0S

L0S
Name:	methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate
Formula:	C8 H19 N2 O2 P
SMILES:	COP(/N=C(/N(CC)CC)C)(=O)C
InChi:	InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3/b9-8+/t13-/m1/s1
Synonyms:	A-232
Definition date:	2019-01-30
Last modified:	2024-09-27
Release date:	2020-07-01
Identifier:	methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate

XM2

XM2
Name:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
Formula:	C32 H44 N4 O7
SMILES:	c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)OC(C)(C)C)=O
InChi:	InChI=1S/C32H44N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h5-14,21,24-27,37H,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1
Definition date:	2020-08-13
Last modified:	2024-09-27
Release date:	2020-12-23
Identifier:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide

X8R

X8R
Name:	1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one
Formula:	C10 H16 N2 O2
SMILES:	CC(=O)N1C2CC3CC1CC(C2)N3O
InChi:	InChI=1S/C10H16N2O2/c1-6(13)11-7-2-9-4-8(11)5-10(3-7)12(9)14/h7-10,14H,2-5H2,1H3/t7-,8+,9-,10+
Definition date:	2022-11-07
Last modified:	2024-09-27
Release date:	2023-02-15
Identifier:	1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one

ZCQ

ZCQ
Name:	3-nitrophenol
Formula:	C6 H5 N O3
SMILES:	O=[N+]([O-])c1cccc(O)c1
InChi:	InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
Definition date:	2012-12-17
Last modified:	2024-09-27
Release date:	2019-08-28
Identifier:	3-nitrophenol

ZUK

ZUK
Name:	5-pyrimidin-2-yl-D-norvaline
Formula:	C9 H13 N3 O2
SMILES:	O=C(O)C(N)CCCc1ncccn1
InChi:	InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1
Definition date:	2009-07-31
Last modified:	2024-09-27
Identifier:	5-pyrimidin-2-yl-D-norvaline

T4Q

T4Q
Name:	2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide
Formula:	C17 H16 N2 O S2
SMILES:	SCCCNC(=O)c1ccccc1Sc2ccccc2C#N
InChi:	InChI=1S/C17H16N2OS2/c18-12-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)17(20)19-10-5-11-21/h1-4,6-9,21H,5,10-11H2,(H,19,20)
Definition date:	2020-12-15
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide

UCV

UCV
Name:	1-[(2~{S})-2-azanyl-3-methyl-butyl]urea
Formula:	C6 H15 N3 O
SMILES:	CC(C)[CH](N)CNC(N)=O
InChi:	InChI=1S/C6H15N3O/c1-4(2)5(7)3-9-6(8)10/h4-5H,3,7H2,1-2H3,(H3,8,9,10)/t5-/m1/s1
Definition date:	2018-08-22
Last modified:	2024-09-27
Release date:	2020-07-08
Identifier:	1-[(2~{S})-2-azanyl-3-methyl-butyl]urea

SBD

SBD
Name:	D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE
Formula:	C17 H22 B N2 O6
SMILES:	O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12
InChi:	InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1S)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

SBE

SBE
Name:	1,3,2-DIOXABOROLAN-2-OL
Formula:	C2 H5 B O3
SMILES:	OB1OCCO1
InChi:	InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2
Definition date:	2004-02-02
Last modified:	2024-09-27
Identifier:	1,3,2-dioxaborolan-2-ol

SBG

SBG
Name:	O-[(S)-HYDROXY(METHYL)PHOSPHORYL]-L-SERINE
Formula:	C4 H10 N O5 P
SMILES:	O=P(OCC(C(=O)O)N)(O)C
InChi:	InChI=1S/C4H10NO5P/c1-11(8,9)10-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
Definition date:	2007-02-13
Last modified:	2024-09-27
Identifier:	O-[(S)-hydroxy(methyl)phosphoryl]-L-serine

UCY

UCY
Name:	(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate
Formula:	C8 H17 O2 P
SMILES:	CP(=O)OC1C(C)(CCC1)C
InChi:	InChI=1S/C8H17O2P/c1-8(2)6-4-5-7(8)10-11(3)9/h7,11H,4-6H2,1-3H3/t7-/m0/s1
Synonyms:	2,2-dimethylcyclopentyl methylphosphinate
Definition date:	2020-05-07
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate

O9E

O9E
Name:	~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide
Formula:	C30 H38 N8 O2 S2
SMILES:	CCCn1cc(CN(C)C(=O)c2sc(C)c(c2)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(CC)nn5)nn1
InChi:	InChI=1S/C30H38N8O2S2/c1-7-12-38-18-22(32-34-38)16-36(6)30(40)28-14-26(20(4)42-28)24-11-9-10-23(24)25-13-27(41-19(25)3)29(39)35(5)15-21-17-37(8-2)33-31-21/h13-14,17-18H,7-12,15-16H2,1-6H3
Definition date:	2020-02-24
Last modified:	2024-09-27
Release date:	2020-05-20
Identifier:	~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide

KLU

KLU
Name:	(2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Formula:	C11 H11 Cl N2 O3
SMILES:	ClCC(=O)N1CC(Oc2ccccc21)C(N)=O
InChi:	InChI=1S/C11H11ClN2O3/c12-5-10(15)14-6-9(11(13)16)17-8-4-2-1-3-7(8)14/h1-4,9H,5-6H2,(H2,13,16)/t9-/m0/s1
Definition date:	2022-02-04
Last modified:	2024-09-27
Release date:	2023-02-15
Identifier:	(2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

T4V

T4V
Name:	1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C17 H20 N2 O
SMILES:	N1(CCN(CC1)C(C)=O)Cc2cccc3ccccc23
InChi:	InChI=1S/C17H20N2O/c1-14(20)19-11-9-18(10-12-19)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8H,9-13H2,1H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one

SQW

SQW
Name:	propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
Formula:	C15 H17 N O3
SMILES:	CC(C)OC(=O)CCC(=O)n1ccc2ccccc12
InChi:	InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3
Definition date:	2020-11-30
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate

T4W

T4W
Name:	2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C16 H14 N2 O S2
SMILES:	SCCNC(=O)c1ccccc1Sc2ccccc2C#N
InChi:	InChI=1S/C16H14N2OS2/c17-11-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16(19)18-9-10-20/h1-8,20H,9-10H2,(H,18,19)
Definition date:	2020-12-15
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide

MMO

MMO
Name:	N~2~-methyl-L-arginine
Formula:	C7 H16 N4 O2
SMILES:	O=C(O)C(NC)CCCNC(=[N@H])N
InChi:	InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1
Definition date:	2001-07-18
Last modified:	2024-09-27
Identifier:	N~2~-methyl-L-arginine

VYA

VYA
Name:	2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C17 H21 N3 O4
SMILES:	CC(C)C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O
InChi:	InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,13,21H,7,9,18H2,1-2H3,(H,22,23)/b14-8-/t13-/m0/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2017-08-09
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

4KF

4KF
Name:	(2S,3S)-2-{(1R)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid
Formula:	C17 H25 N O6
SMILES:	c1c(OC)cc(cc1CNC(C(C(C(=O)O)C(CC)C)O)=O)OC
InChi:	InChI=1S/C17H25NO6/c1-5-10(2)14(17(21)22)15(19)16(20)18-9-11-6-12(23-3)8-13(7-11)24-4/h6-8,10,14-15,19H,5,9H2,1-4H3,(H,18,20)(H,21,22)/t10-,14-,15+/m0/s1
Definition date:	2015-03-27
Last modified:	2024-09-27
Release date:	2015-05-27
Identifier:	(2S,3S)-2-{(1R)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid

OP0

OP0
Name:	(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
Formula:	C9 H18 N4 O7 S
SMILES:	O=CN1C(C(=O)NOCCN)CCC(NOS(=O)(=O)O)C1
InChi:	InChI=1S/C9H18N4O7S/c10-3-4-19-12-9(15)8-2-1-7(5-13(8)6-14)11-20-21(16,17)18/h6-8,11H,1-5,10H2,(H,12,15)(H,16,17,18)/t7-,8+/m1/s1
Definition date:	2014-12-09
Last modified:	2024-09-27
Release date:	2015-07-01
Identifier:	(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide

ZUV

ZUV
Name:	ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate
Formula:	C17 H31 F N O4 P
SMILES:	FP(=O)(CCCCCCCCCCOC(=O)NCCC#C)OCC
InChi:	InChI=1S/C17H31FNO4P/c1-3-5-14-19-17(20)22-15-12-10-8-6-7-9-11-13-16-24(18,21)23-4-2/h1H,4-16H2,2H3,(H,19,20)/t24-/m1/s1
Definition date:	2023-04-04
Last modified:	2024-09-27
Release date:	2024-04-17
Identifier:	ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate

T4Y

T4Y
Name:	1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
Formula:	C15 H22 N2 O
SMILES:	N2(CCCN(Cc1ccccc1C)CC2)C(=O)C
InChi:	InChI=1S/C15H22N2O/c1-13-6-3-4-7-15(13)12-16-8-5-9-17(11-10-16)14(2)18/h3-4,6-7H,5,8-12H2,1-2H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one

SBL

SBL
Name:	L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE
Formula:	C17 H22 B N2 O6
SMILES:	O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12
InChi:	InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

T4Z

T4Z
Name:	2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide
Formula:	C11 H14 Cl N O S2
SMILES:	SCCCNC(=O)CSc1ccc(Cl)cc1
InChi:	InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14)
Definition date:	2020-12-15
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide

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

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