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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

T51

T51
Name:	N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
Formula:	C34 H35 N5 O5
SMILES:	O=[N+](c1cc(ccc1)C(=O)Nc2c(cccc2)OCc3ccccc3CNC(=O)c4ccc(cc4)CN5CCN(CC5)C)[O-]
InChi:	InChI=1S/C34H35N5O5/c1-37-17-19-38(20-18-37)23-25-13-15-26(16-14-25)33(40)35-22-28-7-2-3-8-29(28)24-44-32-12-5-4-11-31(32)36-34(41)27-9-6-10-30(21-27)39(42)43/h2-16,21H,17-20,22-24H2,1H3,(H,35,40)(H,36,41)
Definition date:	2015-09-30
Last modified:	2024-09-27
Release date:	2016-09-21
Identifier:	N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide

WTE

WTE
Name:	N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-[(2S,3Z)-1-[(2S)-oxolan-2-yl]-3-(2-oxooxolan-3-ylidene)propan-2-yl]-L-leucinamide
Formula:	C34 H42 F N3 O7
SMILES:	Fc1ccc(cc1)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCO1)C=C1CCOC1=O
InChi:	InChI=1S/C34H42FN3O7/c1-22(2)17-29(31(39)36-27(20-28-9-6-15-43-28)19-25-14-16-44-33(25)41)37-32(40)30(18-23-10-12-26(35)13-11-23)38-34(42)45-21-24-7-4-3-5-8-24/h3-5,7-8,10-13,19,22,27-30H,6,9,14-18,20-21H2,1-2H3,(H,36,39)(H,37,40)(H,38,42)/b25-19-/t27-,28+,29+,30+/m1/s1
Synonyms:	GSK4365096A
Definition date:	2023-10-12
Last modified:	2024-09-27
Release date:	2024-03-13
Identifier:	N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-[(2S,3Z)-1-[(2S)-oxolan-2-yl]-3-(2-oxooxolan-3-ylidene)propan-2-yl]-L-leucinamide

SBP

SBP
Name:	[3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE
Formula:	C6 H15 B N3 O3
SMILES:	O(B1OCCO1)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H14BN3O3/c8-6(9)10-2-1-3-11-7-12-4-5-13-7/h1-5H2,(H4,8,9,10)/p+1
Definition date:	2004-01-26
Last modified:	2024-09-27
Identifier:	amino{[3-(1,3,2-dioxaborolan-2-yloxy)propyl]amino}methaniminium

UQN

UQN
Name:	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
Formula:	C16 H12 Br2 N2
SMILES:	Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br
InChi:	InChI=1S/C16H12Br2N2/c1-11-6-7-12(10-15(11)18)20-9-8-19-16(20)13-4-2-3-5-14(13)17/h2-10H,1H3
Definition date:	2021-03-09
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole

ZDC

ZDC
Name:	3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
Formula:	C8 H14 O6
SMILES:	O=C(O)CC1OC(C(O)C(O)C1O)C
InChi:	InChI=1S/C8H14O6/c1-3-6(11)8(13)7(12)4(14-3)2-5(9)10/h3-4,6-8,11-13H,2H2,1H3,(H,9,10)/t3-,4-,6+,7+,8+/m0/s1
Definition date:	2012-12-17
Last modified:	2024-09-27
Release date:	2016-02-10
Identifier:	3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid

SR2

SR2
Name:	(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
Formula:	C20 H20 Br N5 O
SMILES:	Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)/C=C/CN(C)C
InChi:	InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
Definition date:	2007-08-06
Last modified:	2024-09-27
Identifier:	(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide

T53

T53
Name:	N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
Formula:	C34 H35 N5 O5
SMILES:	O=[N+]([O-])c1cccc(c1)C(=O)Nc2ccccc2OCc3cc(ccc3)CNC(=O)c4ccc(cc4)CN5CCN(CC5)C
InChi:	InChI=1S/C34H35N5O5/c1-37-16-18-38(19-17-37)23-25-12-14-28(15-13-25)33(40)35-22-26-6-4-7-27(20-26)24-44-32-11-3-2-10-31(32)36-34(41)29-8-5-9-30(21-29)39(42)43/h2-15,20-21H,16-19,22-24H2,1H3,(H,35,40)(H,36,41)
Definition date:	2015-09-30
Last modified:	2024-09-27
Release date:	2016-09-21
Identifier:	N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide

SR3

SR3
Name:	(2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid
Formula:	C10 H16 N2 O8 S
SMILES:	O=C(O)C(NC=CC=O)C(C(=O)OCC(=O)N)(C)S(O)O
InChi:	InChI=1S/C10H16N2O8S/c1-10(21(18)19,9(17)20-5-6(11)14)7(8(15)16)12-3-2-4-13/h2-4,7,12,18-19,21H,5H2,1H3,(H2,11,14)(H,15,16)/b3-2+/t7-,10+/m0/s1
Definition date:	2011-05-12
Last modified:	2024-09-27
Identifier:	(2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid (non-preferred name)

ZV4

ZV4
Name:	(2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid
Formula:	C9 H12 N O5 P
SMILES:	N[CH](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C9H12NO5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
Synonyms:	phosphophenylalanine
Definition date:	2023-04-06
Last modified:	2024-09-27
Release date:	2023-04-19
Identifier:	(2~{S})-2-azanyl-3-(4-phosphonophenyl)propanoic acid

UQO

UQO
Name:	(1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H37 N3 O10 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22-/m0/s1
Definition date:	2022-08-23
Last modified:	2024-09-27
Release date:	2022-09-21
Identifier:	(1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

PWW

PWW
Name:	4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid
Formula:	C13 H14 N2 O4
SMILES:	OC(=O)c1ccc(cc1)C=NNC(=O)CCCC=O
InChi:	InChI=1S/C13H14N2O4/c16-8-2-1-3-12(17)15-14-9-10-4-6-11(7-5-10)13(18)19/h4-9H,1-3H2,(H,15,17)(H,18,19)/b14-9+
Definition date:	2020-04-30
Last modified:	2024-09-27
Release date:	2021-01-20
Identifier:	4-[(~{E})-(5-oxidanylidenepentanoylhydrazinylidene)methyl]benzoic acid

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

ZV7

ZV7
Name:	2-chloro-N-(3-oxopropyl)acetohydrazide
Formula:	C5 H9 Cl N2 O2
SMILES:	ClCC(=O)N(N)CCC=O
InChi:	InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2
Definition date:	2023-04-06
Last modified:	2024-09-27
Release date:	2024-04-03
Identifier:	2-chloro-N-(3-oxopropyl)acetohydrazide

ZDL

ZDL
Name:	1,3-dimethylimidazolidine
Formula:	C5 H12 N2
SMILES:	CN1CCN(C)C1
InChi:	InChI=1S/C5H12N2/c1-6-3-4-7(2)5-6/h3-5H2,1-2H3
Definition date:	2023-06-23
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	1,3-dimethylimidazolidine

YS7

YS7
Name:	(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside
Formula:	C27 H49 N6 O12 P
SMILES:	O=P(O)(O)OCc1cnc(C)c(O)c1CNCC1CCC(N)C(O1)OC1C(O)C(OC2OCC(C)(O)C(NC)C2O)C(N)CC1N
InChi:	InChI=1S/C27H49N6O12P/c1-12-19(34)15(13(7-33-12)10-42-46(38,39)40)9-32-8-14-4-5-16(28)25(43-14)44-22-17(29)6-18(30)23(20(22)35)45-26-21(36)24(31-3)27(2,37)11-41-26/h7,14,16-18,20-26,31-32,34-37H,4-6,8-11,28-30H2,1-3H3,(H2,38,39,40)/t14-,16+,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m0/s1
Definition date:	2021-03-30
Last modified:	2024-09-27
Release date:	2021-09-22
Identifier:	(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside

PX1

PX1
Name:	(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-IMINO-4,6-DIMETHYL-3-OXO-2,3-DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE
Formula:	C16 H13 N3 O6
SMILES:	O=C2C(=[N@H])/C(/C1=Nc3c(OC1=C2C)c(c(cc3C=O)N)C)=CO
InChi:	InChI=1S/C16H13N3O6/c1-4-7(17)3-6(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3,18,23-24H,17H2,1-2H3,(H,21,22)/b18-9-
Definition date:	2003-09-10
Last modified:	2024-09-27
Identifier:	(1E,2E)-7-amino-1-(hydroxymethylidene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1H-phenoxazine-9-carbaldehyde

MN1

MN1
Name:	4-CARBOXYPIPERIDINE
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1CCNCC1
InChi:	InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	piperidine-4-carboxylic acid

ZDP

ZDP
Name:	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
Formula:	C8 H16 N2 O4
SMILES:	O=C(O)C(N)(CCCC(N)C(=O)O)C
InChi:	InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m0/s1
Definition date:	2006-04-13
Last modified:	2024-09-27
Identifier:	(2S,6S)-2,6-diamino-2-methylheptanedioic acid

OPE

OPE
Name:	PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER
Formula:	C2 H8 N O4 P
SMILES:	O=P(O)(O)OCCN
InChi:	InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
Synonyms:	COLAMINE PHOSPHORIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-aminoethyl dihydrogen phosphate

4KU

4KU
Name:	2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}
Formula:	C16 H20 N2 O6 S4
SMILES:	OS(=O)(c1c(ccc(c1)NCS)CCc2ccc(NCS)cc2S(=O)(O)=O)=O
InChi:	InChI=1S/C16H20N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h3-8,17-18,25-26H,1-2,9-10H2,(H,19,20,21)(H,22,23,24)
Definition date:	2015-04-01
Last modified:	2024-09-27
Release date:	2015-11-04
Identifier:	2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}

MN2

MN2
Name:	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE
Formula:	C11 H17 N2 O2
SMILES:	O=C(O)CCNCc1ccc(cc1)C[NH3+]
InChi:	InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(4-{[(2-carboxyethyl)amino]methyl}phenyl)methanaminium

SRB

SRB
Name:	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
Formula:	C14 H17 B N O4
SMILES:	O=C(NC([B-](O)(O)O)Cc2cccc1ccccc12)C
InChi:	InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-(acetylamino)-2-naphthalen-1-ylethyl](trihydroxy)borate(1-)

SBZ

SBZ
Name:	[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINE
Formula:	C10 H14 B N2 O3
SMILES:	O(B1OCCO1)Cc2ccc(C(=[NH2+])N)cc2
InChi:	InChI=1S/C10H13BN2O3/c12-10(13)9-3-1-8(2-4-9)7-16-11-14-5-6-15-11/h1-4H,5-7H2,(H3,12,13)/p+1
Definition date:	2004-02-02
Last modified:	2024-09-27
Identifier:	amino{4-[(1,3,2-dioxaborolan-2-yloxy)methyl]phenyl}methaniminium

Y1E

Y1E
Name:	N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
Formula:	C30 H27 N3 O2
SMILES:	CC(NC(=O)C(N(C(=O)C=C)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1
InChi:	InChI=1S/C30H27N3O2/c1-3-28(34)33(27-18-16-25(17-19-27)24-13-8-5-9-14-24)29(26-15-10-20-31-21-26)30(35)32-22(2)23-11-6-4-7-12-23/h3-22,29H,1H2,2H3,(H,32,35)/t22-,29-/m0/s1
Definition date:	2022-12-21
Last modified:	2024-09-27
Release date:	2023-08-09
Identifier:	N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide

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