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OUH

OUH
Name:	[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid
Formula:	C7 H12 N4 O2
SMILES:	N[CH](CNC(O)=O)Cc1[nH]cnc1
InChi:	InChI=1S/C7H12N4O2/c8-5(2-10-7(12)13)1-6-3-9-4-11-6/h3-5,10H,1-2,8H2,(H,9,11)(H,12,13)/t5-/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid

OUI

OUI
Name:	[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid
Formula:	C7 H16 N2 O2
SMILES:	CC[CH](C)[CH](N)CNC(O)=O
InChi:	InChI=1S/C7H16N2O2/c1-3-5(2)6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t5-,6+/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid

W5N

W5N
Name:	[(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate
Formula:	C23 H40 N2 O5
SMILES:	CO[CH]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C(C)C)OC(=O)N[CH]3CC[CH](N)CC3
InChi:	InChI=1S/C23H40N2O5/c1-14(2)6-11-18-23(4,30-18)20-19(28-5)17(12-13-22(20,3)27)29-21(26)25-16-9-7-15(24)8-10-16/h6,15-20,27H,7-13,24H2,1-5H3,(H,25,26)/t15-,16-,17-,18+,19-,20+,22-,23+/m1/s1
Synonyms:	(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl N-(trans-4-aminocyclohexyl)carbamate
Definition date:	2023-05-02
Last modified:	2024-09-27
Release date:	2024-04-10
Identifier:	[(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate

UVE

UVE
Name:	4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde
Formula:	C15 H13 N O4 S
SMILES:	O=Cc1ccc(cc1)[S](=O)(=O)N2CCOc3ccccc23
InChi:	InChI=1S/C15H13NO4S/c17-11-12-5-7-13(8-6-12)21(18,19)16-9-10-20-15-4-2-1-3-14(15)16/h1-8,11H,9-10H2
Definition date:	2021-03-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde

PAM

PAM
Name:	PALMITOLEIC ACID
Formula:	C16 H30 O2
SMILES:	O=C(O)CCCCCCCC=C/CCCCCC
InChi:	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(9Z)-hexadec-9-enoic acid

OUK

OUK
Name:	[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium
Formula:	C7 H18 N3 O2
SMILES:	N[CH](CCCC[NH3+])CNC(O)=O
InChi:	InChI=1S/C7H17N3O2/c8-4-2-1-3-6(9)5-10-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/p+1/t6-/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium

OUL

OUL
Name:	4-(4-aminocarbonylphenoxy)benzamide
Formula:	C14 H12 N2 O3
SMILES:	NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
InChi:	InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
Synonyms:	OUL35
Definition date:	2017-09-25
Last modified:	2024-09-27
Release date:	2018-07-25
Identifier:	4-(4-aminocarbonylphenoxy)benzamide

Q33

Q33
Name:	4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide
Formula:	C21 H16 Cl2 N2 O2
SMILES:	Clc1cc(cc(C(=O)Nc2ccccc2)c1Cl)C(=O)NCc3ccccc3
InChi:	InChI=1S/C21H16Cl2N2O2/c22-18-12-15(20(26)24-13-14-7-3-1-4-8-14)11-17(19(18)23)21(27)25-16-9-5-2-6-10-16/h1-12H,13H2,(H,24,26)(H,25,27)
Definition date:	2022-10-12
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide

UVH

UVH
Name:	4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
Formula:	C14 H20 N2 O3 S
SMILES:	CC(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C14H20N2O3S/c1-12(2)15-7-9-16(10-8-15)20(18,19)14-5-3-13(11-17)4-6-14/h3-6,11-12H,7-10H2,1-2H3
Definition date:	2021-03-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde

L61

L61
Name:	2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:	C14 H19 N O3
SMILES:	O=C(OCC(C)C)NC(c1ccccc1)CC=O
InChi:	InChI=1S/C14H19NO3/c1-11(2)10-18-14(17)15-13(8-9-16)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1
Definition date:	2013-02-11
Last modified:	2024-09-27
Release date:	2013-05-22
Identifier:	2-methylpropyl [(1R)-3-oxo-1-phenylpropyl]carbamate

LKK

LKK
Name:	3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid
Formula:	C16 H21 Br N4 O4 S
SMILES:	CCC(CC)(C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1)[S](O)(=O)=O
InChi:	InChI=1S/C16H21BrN4O4S/c1-3-16(4-2,26(23,24)25)15(22)18-9-14-11-21(20-19-14)10-12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,22)(H,23,24,25)
Definition date:	2019-08-21
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid

TQK

TQK
Name:	2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C17 H14 N2 O
SMILES:	Cc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H14N2O/c1-13-11-16(8-7-15(13)12-20)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3
Definition date:	2021-01-12
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde

L62

L62
Name:	cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:	C15 H19 N O3
SMILES:	O=C(OC1CCCC1)NC(c2ccccc2)CC=O
InChi:	InChI=1S/C15H19NO3/c17-11-10-14(12-6-2-1-3-7-12)16-15(18)19-13-8-4-5-9-13/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,18)/t14-/m1/s1
Definition date:	2013-02-11
Last modified:	2024-09-27
Release date:	2013-05-22
Identifier:	cyclopentyl [(1R)-3-oxo-1-phenylpropyl]carbamate

MTX

MTX
Name:	METHOTREXATE
Formula:	C20 H22 N8 O5
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3N)N)CCC(=O)O
InChi:	InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid

5I1

5I1
Name:	N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
Formula:	C30 H34 Cl N7 O2
SMILES:	CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC[CH](C2)Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45
InChi:	InChI=1S/C30H34ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,8-9,11-14,17-18,22,32H,5-7,10,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/t22-/m1/s1
Definition date:	2015-08-17
Last modified:	2024-09-27
Release date:	2016-06-15
Identifier:	N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide

MTY

MTY
Name:	META-TYROSINE
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(N)Cc1cc(O)ccc1
InChi:	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-hydroxy-L-phenylalanine

PAQ

PAQ
Name:	2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE
Formula:	C14 H16 N4 O4
SMILES:	O=C(O)C(N)CC2C=C(NNc1ncccc1)C(O)=CC2=O
InChi:	InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-[(1R)-4-hydroxy-6-oxo-3-(2-pyridin-2-ylhydrazino)cyclohexa-2,4-dien-1-yl]-L-alanine

UVK

UVK
Name:	4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Formula:	C15 H12 F N O4 S
SMILES:	Fc1ccc2OCCN(c2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C15H12FNO4S/c16-12-3-6-15-14(9-12)17(7-8-21-15)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2
Definition date:	2021-03-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde

OUR

OUR
Name:	[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
Formula:	C7 H18 N5 O2
SMILES:	N[CH](CCCNC(N)=[NH2+])CNC(O)=O
InChi:	InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium

PAT

PAT
Name:	ALPHA-PHOSPHONO-TRYPTOPHAN
Formula:	C11 H13 N2 O5 P
SMILES:	O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18)
Definition date:	2001-03-12
Last modified:	2024-09-27
Identifier:	alpha-phosphono-L-tryptophan

UVN

UVN
Name:	4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde
Formula:	C11 H12 N2 O4 S
SMILES:	O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2
InChi:	InChI=1S/C11H12N2O4S/c14-8-9-1-3-10(4-2-9)18(16,17)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15)
Definition date:	2021-03-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde

TCK

TCK
Name:	N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
Formula:	C14 H21 Cl N2 O3 S
SMILES:	O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C
InChi:	InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1
Synonyms:	Tos-Lys-CH2Cl
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide

L68

L68
Name:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
Formula:	C23 H16 F2 N4 O3
SMILES:	Cn1cc(cn1)c2ccc(C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2
InChi:	InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid

TQQ

TQQ
Name:	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
Formula:	C11 H11 N3 O3
SMILES:	O=C(O)C(N)Cc2c1C=CC(=[N@H])C(=O)c1nc2
InChi:	InChI=1S/C11H11N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,12,14H,3,13H2,(H,16,17)/b12-7-/t8-/m0/s1
Synonyms:	3-[(6E)-6-IMINO-7-OXO-6,7-DIHYDRO-1H-INDOL-3-YL]-L-ALANINE
Definition date:	2005-08-10
Last modified:	2024-09-27
Identifier:	3-[(6Z)-6-imino-7-oxo-6,7-dihydro-1H-indol-3-yl]-L-alanine

QIL

QIL
Name:	N-formyl-L-isoleucine
Formula:	C7 H13 N O3
SMILES:	O=CNC(C(=O)O)C(CC)C
InChi:	InChI=1S/C7H13NO3/c1-3-5(2)6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-,6-/m0/s1
Definition date:	2011-05-25
Last modified:	2024-09-27
Identifier:	N-formyl-L-isoleucine

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