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KJW

KJW
Name:	(d)3-hydroxy-Leucine
Formula:	C6 H13 N O3
SMILES:	CC(C)[CH](O)[CH](N)C(O)=O
InChi:	InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m1/s1
Definition date:	2019-05-28
Last modified:	2024-09-27
Release date:	2020-07-08
Identifier:	(2~{R},3~{S})-2-azanyl-4-methyl-3-oxidanyl-pentanoic acid

KK9

KK9
Name:	N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide
Formula:	C16 H16 Cl N O2
SMILES:	CCC(=O)Nc1ccc(C)c(Oc2ccc(Cl)cc2)c1
InChi:	InChI=1S/C16H16ClNO2/c1-3-16(19)18-13-7-4-11(2)15(10-13)20-14-8-5-12(17)6-9-14/h4-10H,3H2,1-2H3,(H,18,19)
Definition date:	2020-07-30
Last modified:	2024-09-27
Release date:	2021-02-03
Identifier:	~{N}-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide

0XL

0XL
Name:	2-amino-2-ethylbutanoic acid
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)(CC)CC
InChi:	InChI=1S/C6H13NO2/c1-3-6(7,4-2)5(8)9/h3-4,7H2,1-2H3,(H,8,9)
Definition date:	2012-08-29
Last modified:	2024-09-27
Release date:	2013-07-31
Identifier:	2-amino-2-ethylbutanoic acid

0XM

0XM
Name:	1,1-diphenylmethanamine
Formula:	C13 H13 N
SMILES:	c1(ccccc1)C(N)c2ccccc2
InChi:	InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
Definition date:	2012-08-29
Last modified:	2024-09-27
Release date:	2013-07-31
Identifier:	1,1-diphenylmethanamine

KKC

KKC
Name:	delta-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III)
Formula:	C37 H25 F4 Ir N5 O2
SMILES:	Fc1cc(F)c(c([Ir+3]c2cc(F)cc(F)c2c3ccccn3)c1)c4ccccn4.O=C5CCC(=O)N5Cc6ccc(nc6)c7ccccn7
InChi:	InChI=1S/C15H13N3O2.2C11H6F2N.Ir/c19-14-6-7-15(20)18(14)10-11-4-5-13(17-9-11)12-3-1-2-8-16-12
Definition date:	2022-09-23
Last modified:	2024-09-27
Release date:	2023-03-15

0XN

0XN
Name:	1,1-bis(4-fluorophenyl)methanamine
Formula:	C13 H11 F2 N
SMILES:	Fc1ccc(cc1)C(N)c2ccc(F)cc2
InChi:	InChI=1S/C13H11F2N/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13H,16H2
Definition date:	2012-08-29
Last modified:	2024-09-27
Release date:	2013-07-31
Identifier:	1,1-bis(4-fluorophenyl)methanamine

0XO

0XO
Name:	2-methyl-D-lysine
Formula:	C7 H16 N2 O2
SMILES:	O=C(O)C(N)(CCCCN)C
InChi:	InChI=1S/C7H16N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2-5,8-9H2,1H3,(H,10,11)/t7-/m1/s1
Definition date:	2012-08-29
Last modified:	2024-09-27
Release date:	2014-02-19
Identifier:	2-methyl-D-lysine

0XQ

0XQ
Name:	(2R)-2,8-diamino-2-methyloctanoic acid
Formula:	C9 H20 N2 O2
SMILES:	O=C(O)C(N)(CCCCCCN)C
InChi:	InChI=1S/C9H20N2O2/c1-9(11,8(12)13)6-4-2-3-5-7-10/h2-7,10-11H2,1H3,(H,12,13)/t9-/m1/s1
Definition date:	2012-08-29
Last modified:	2024-09-27
Release date:	2014-02-19
Identifier:	(2R)-2,8-diamino-2-methyloctanoic acid

0XY

0XY
Name:	5-fluoro-N-acetyl-alpha-D-glucosamine
Formula:	C8 H14 F N O6
SMILES:	FC1(OC(O)C(NC(=O)C)C(O)C1O)CO
InChi:	InChI=1S/C8H14FNO6/c1-3(12)10-4-5(13)6(14)8(9,2-11)16-7(4)15/h4-7,11,13-15H,2H2,1H3,(H,10,12)/t4-,5-,6+,7?,8-/m1/s1
Synonyms:	N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide
Definition date:	2012-09-05
Last modified:	2024-09-27
Release date:	2012-12-14
Identifier:	N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

KKR

KKR
Name:	1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione
Formula:	C30 H35 N7 O3 S
SMILES:	O=C(C=C(/C)C)CCC(=O)N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5cccc4nncc45)N6CCOCC6
InChi:	InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
Synonyms:	1-[4-[[2-(1H-indazol-4-yl)-4-morpholinthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4-dione
Definition date:	2013-01-09
Last modified:	2024-09-27
Release date:	2013-02-08
Identifier:	1-(4-{[2-(1H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione

0Y8

0Y8
Name:	(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline
Formula:	C14 H13 Br N2 O3
SMILES:	O=C(O)C3NCC(Oc1nccc2c1cc(Br)cc2)C3
InChi:	InChI=1S/C14H13BrN2O3/c15-9-2-1-8-3-4-16-13(11(8)5-9)20-10-6-12(14(18)19)17-7-10/h1-5,10,12,17H,6-7H2,(H,18,19)/t10-,12+/m1/s1
Definition date:	2012-09-12
Last modified:	2024-09-27
Release date:	2012-12-07
Identifier:	(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline

0Y9

0Y9
Name:	(1R,2S)-1-amino-2-ethenylcyclopropanecarboxylic acid
Formula:	C6 H9 N O2
SMILES:	O=C(O)C1(N)CC1C=C
InChi:	InChI=1S/C6H9NO2/c1-2-4-3-6(4,7)5(8)9/h2,4H,1,3,7H2,(H,8,9)/t4-,6-/m1/s1
Definition date:	2012-09-12
Last modified:	2024-09-27
Identifier:	(1R,2S)-1-amino-2-ethenylcyclopropanecarboxylic acid

0YA

0YA
Name:	cyclopropanesulfonamide
Formula:	C3 H7 N O2 S
SMILES:	O=S(=O)(N)C1CC1
InChi:	InChI=1S/C3H7NO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H2,4,5,6)
Definition date:	2012-09-12
Last modified:	2024-09-27
Release date:	2012-12-07
Identifier:	cyclopropanesulfonamide

0YG

0YG
Name:	N-[(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine
Formula:	C11 H12 N2 O4
SMILES:	NC(=Cc1ccc(O)cc1)C(=O)NCC(O)=O
InChi:	InChI=1S/C11H12N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-5,14H,6,12H2,(H,13,17)(H,15,16)/b9-5-
Definition date:	2010-02-16
Last modified:	2024-09-27
Identifier:	2-[[(Z)-2-azanyl-3-(4-hydroxyphenyl)prop-2-enoyl]amino]ethanoic acid

KL8

KL8
Name:	(3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
Formula:	C16 H16 B O5 S
SMILES:	OC(=O)c1cccc2C[CH](SCc3ccccc3)[B-](O)(O)Oc12
InChi:	InChI=1S/C16H16BO5S/c18-16(19)13-8-4-7-12-9-14(17(20,21)22-15(12)13)23-10-11-5-2-1-3-6-11/h1-8,14,20-21H,9-10H2,(H,18,19)/q-1/t14-/m1/s1
Definition date:	2019-06-04
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	(4~{S})-3,3-bis(oxidanyl)-4-(phenylmethylsulfanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid

KLF

KLF
Name:	(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide
Formula:	C5 H10 N2 O2
SMILES:	NC(=O)[CH]1C[CH](O)CN1
InChi:	InChI=1S/C5H10N2O2/c6-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4+/m1/s1
Definition date:	2022-09-27
Last modified:	2024-09-27
Release date:	2022-10-19
Identifier:	(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide

0YT

0YT
Name:	2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose
Formula:	C8 H15 N O5 S
SMILES:	O=C(NC1C(O)C(O)C(SC1O)CO)C
InChi:	InChI=1S/C8H15NO5S/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:	2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose
Definition date:	2012-09-18
Last modified:	2024-09-27
Release date:	2012-10-26
Identifier:	2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose

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

0Z6

0Z6
Name:	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
Formula:	C25 H36 Cl N6 O3
SMILES:	ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[NH2+])N
InChi:	InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/p+1/t19-,20+,21+,22-/m1/s1
Synonyms:	FFRCK
Definition date:	2008-07-30
Last modified:	2024-09-27
Identifier:	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide

0Z7

0Z7
Name:	N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
Formula:	C27 H38 Cl N6 O4
SMILES:	C(C(C(NC(C(NC(C(NC(=O)C)Cc1ccccc1)=O)Cc2ccccc2)=O)CCCNC(=N)N)O)Cl
InChi:	InChI=1S/C27H37ClN6O4/c1-18(35)32-22(15-19-9-4-2-5-10-19)25(37)34-23(16-20-11-6-3-7-12-20)26(38)33-21(24(36)17-28)13-8-14-31-27(29)30/h2-7,9-12,21-24,36H,8,13-17H2,1H3,(H,32,35)(H,33,38)(H,34,37)(H4,29,30,31)/p+1/t21-,22+,23-,24+/m0/s1
Definition date:	2015-04-10
Last modified:	2024-09-27
Release date:	2015-12-29
Identifier:	N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide

KLZ

KLZ
Name:	4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
Formula:	C10 H9 Cl N2 S2
SMILES:	NC(=N)c1sc2cc(CS)cc(Cl)c2c1
InChi:	InChI=1S/C10H9ClN2S2/c11-7-1-5(4-14)2-8-6(7)3-9(15-8)10(12)13/h1-3,14H,4H2,(H3,12,13)
Definition date:	2019-06-06
Last modified:	2024-09-27
Release date:	2020-06-17
Identifier:	4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide

0ZJ

0ZJ
Name:	N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Formula:	C23 H36 Cl N6 O4 S
SMILES:	O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)C2N(C(=O)C(NC(=O)CS)Cc1ccccc1)CCC2
InChi:	InChI=1S/C23H35ClN6O4S/c24-13-19(31)16(8-4-10-27-23(25)26)29-21(33)18-9-5-11-30(18)22(34)17(28-20(32)14-35)12-15-6-2-1-3-7-15/h1-3,6-7,16-19,31,35H,4-5,8-14H2,(H,28,32)(H,29,33)(H4,25,26,27)/p+1/t16-,17+,18-,19+/m0/s1
Synonyms:	ATA-FPR-CH2Cl
Definition date:	2008-08-05
Last modified:	2024-09-27
Identifier:	N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide

KM6

KM6
Name:	2-(4-chlorophenyl)-1,3,4-oxadiazole
Formula:	C8 H5 Cl N2 O
SMILES:	Clc1ccc(cc1)c2ocnn2
InChi:	InChI=1S/C8H5ClN2O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
Definition date:	2022-09-27
Last modified:	2024-09-27
Release date:	2023-09-27
Identifier:	2-(4-chlorophenyl)-1,3,4-oxadiazole

0ZW

0ZW
Name:	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide
Formula:	C21 H44 B N4 O7
SMILES:	O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(B(O)OCCCO)CCCC[NH3+])C(C)C)C
InChi:	InChI=1S/C21H43BN4O7/c1-14(2)17(26-18(28)15(3)24-20(30)33-21(4,5)6)19(29)25-16(10-7-8-11-23)22(31)32-13-9-12-27/h14-17,27,31H,7-13,23H2,1-6H3,(H,24,30)(H,25,29)(H,26,28)/p+1/t15-,16-,17-/m0/s1
Definition date:	2008-08-18
Last modified:	2024-09-27
Identifier:	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide

KMF

KMF
Name:	N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
Formula:	C19 H23 N3 O2
SMILES:	CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc32)CC1
InChi:	InChI=1S/C19H23N3O2/c1-15(23)22-13-11-21(12-14-22)10-9-20-19(24)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3,(H,20,24)
Definition date:	2023-08-14
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide

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