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ZU5

ZU5
Name:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-[(1R)-4-cyclopropyl-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-leucinamide
Formula:	C34 H52 N4 O7
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C3CC3)CC(C)C)C(OC(C)(C)C)C
InChi:	InChI=1S/C34H52N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,21-22,24-27,29H,12-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22-,25+,26-,27+,29+/m1/s1
Synonyms:	TG-0205486
Definition date:	2008-12-10
Last modified:	2024-09-27
Identifier:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2R)-5-cyclopropyl-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide

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

YE3

YE3
Name:	(8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:	C18 H15 F N2 O5 S
SMILES:	FS(=O)(=O)CCNc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O
InChi:	InChI=1S/C18H15FN2O5S/c19-27(25,26)9-8-20-15-7-2-1-4-11(15)12-5-3-6-13-16(12)21-10-14(17(13)22)18(23)24/h1-7,10,20H,8-9H2,(H,21,22)(H,23,24)
Definition date:	2023-12-01
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	(8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

V3Z

V3Z
Name:	(5-methanoyl-2-nitro-phenyl) propane-2-sulfonate
Formula:	C10 H11 N O6 S
SMILES:	CC(C)[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O
InChi:	InChI=1S/C10H11NO6S/c1-7(2)18(15,16)17-10-5-8(6-12)3-4-9(10)11(13)14/h3-7H,1-2H3
Definition date:	2021-04-12
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	(5-methanoyl-2-nitro-phenyl) propane-2-sulfonate

LEU

LEU
Name:	LEUCINE
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)CC(C)C
InChi:	InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	L-leucine

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

QQ8

QQ8
Name:	(4~{S})-4-azanyl-5-formamido-pentanamide
Formula:	C6 H13 N3 O3
SMILES:	N[CH](CCC(N)=O)CNC(O)=O
InChi:	InChI=1S/C6H13N3O3/c7-4(1-2-5(8)10)3-9-6(11)12/h4,9H,1-3,7H2,(H2,8,10)(H,11,12)/t4-/m0/s1
Definition date:	2020-07-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	[(2~{S})-2,5-bis(azanyl)-5-oxidanylidene-pentyl]carbamic acid

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

R4F

R4F
Name:	1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form
Formula:	C13 H13 N O2
SMILES:	CC(C)C(=O)n1cc(C=O)c2ccccc21
InChi:	InChI=1S/C13H13NO2/c1-9(2)13(16)14-7-10(8-15)11-5-3-4-6-12(11)14/h3-9H,1-2H3
Definition date:	2022-06-16
Last modified:	2024-09-27
Release date:	2022-10-12
Identifier:	1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde

NTN

NTN
Name:	ISONICOTINAMIDINE
Formula:	C6 H7 N3
SMILES:	[N@H]=C(N)c1ccncc1
InChi:	InChI=1S/C6H7N3/c7-6(8)5-1-3-9-4-2-5/h1-4H,(H3,7,8)
Definition date:	2001-04-16
Last modified:	2024-09-27
Identifier:	pyridine-4-carboximidamide

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

Y0P

Y0P
Name:	8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
Formula:	C15 H13 F2 N O7 S2
SMILES:	Fc1cc(cc(OC)c1)NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O
InChi:	InChI=1S/C15H13F2NO7S2/c1-23-11-7-9(16)6-10(8-11)18-27(21,22)13-3-2-12(26(17,19)20)14-15(13)25-5-4-24-14/h2-3,6-8,18H,4-5H2,1H3
Definition date:	2022-12-20
Last modified:	2024-09-27
Release date:	2023-12-06
Identifier:	8-[(3-fluoro-5-methoxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride

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

V42

V42
Name:	(5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate
Formula:	C11 H9 N3 O6 S
SMILES:	Cn1cc(cn1)[S](=O)(=O)Oc2cc(C=O)ccc2[N+]([O-])=O
InChi:	InChI=1S/C11H9N3O6S/c1-13-6-9(5-12-13)21(18,19)20-11-4-8(7-15)2-3-10(11)14(16)17/h2-7H,1H3
Definition date:	2021-04-12
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	(5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate

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

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

ZCI

ZCI
Name:	2-bromo-1H-imidazole
Formula:	C3 H3 Br N2
SMILES:	Brc1ncc[NH]1
InChi:	InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
Definition date:	2023-06-23
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	2-bromo-1H-imidazole

V44

V44
Name:	S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine
Formula:	C13 H19 N5 O2 S
SMILES:	C(=O)(C(N)CSCC(c1nccn1C)c2n(ccn2)C)O
InChi:	InChI=1S/C13H19N5O2S/c1-17-5-3-15-11(17)9(12-16-4-6-18(12)2)7-21-8-10(14)13(19)20/h3-6,9-10H,7-8,14H2,1-2H3,(H,19,20)/t10-/m0/s1
Definition date:	2020-06-23
Last modified:	2024-09-27
Release date:	2021-06-30
Identifier:	S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine

ZCL

ZCL
Name:	3,4-dichloro-L-phenylalanine
Formula:	C9 H9 Cl2 N O2
SMILES:	Clc1ccc(cc1Cl)CC(C(=O)O)N
InChi:	InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
Definition date:	2010-12-29
Last modified:	2024-09-27
Identifier:	3,4-dichloro-L-phenylalanine

QQB

QQB
Name:	~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide
Formula:	C14 H16 N2 O2
SMILES:	N[CH](CNC(O)=O)Cc1cccc2ccccc12
InChi:	InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1
Definition date:	2020-07-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic 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

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

V45

V45
Name:	(2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide
Formula:	C23 H30 Cl N3 O5
SMILES:	C1(CN(C(O1)=O)C(CC(C)C)C(=O)NC(CC2CCNC2=O)C=O)Cc3cccc(c3)Cl
InChi:	InChI=1S/C23H30ClN3O5/c1-14(2)8-20(22(30)26-18(13-28)11-16-6-7-25-21(16)29)27-12-19(32-23(27)31)10-15-4-3-5-17(24)9-15/h3-5,9,13-14,16,18-20H,6-8,10-12H2,1-2H3,(H,25,29)(H,26,30)/t16-,18-,19?,20-/m0/s1
Definition date:	2017-07-14
Last modified:	2024-09-27
Release date:	2017-12-13
Identifier:	(2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide

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

RIB

RIB
Name:	alpha-D-ribofuranose
Formula:	C5 H10 O5
SMILES:	OC1C(OC(O)C1O)CO
InChi:	InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m1/s1
Synonyms:	alpha-D-ribose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	alpha-D-ribofuranose

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