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7NQ

7NQ
Name:	~{N}-(4-ethoxyquinazolin-2-yl)propanamide
Formula:	C13 H15 N3 O2
SMILES:	CCOc1nc(NC(=O)CC)nc2ccccc12
InChi:	InChI=1S/C13H15N3O2/c1-3-11(17)15-13-14-10-8-6-5-7-9(10)12(16-13)18-4-2/h5-8H,3-4H2,1-2H3,(H,14,15,16,17)
Definition date:	2016-11-28
Last modified:	2024-09-27
Release date:	2017-11-01
Identifier:	~{N}-(4-ethoxyquinazolin-2-yl)propanamide

7NS

7NS
Name:	[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
Formula:	C10 H13 B Br N O
SMILES:	Brc1cc(BO)cc(c1)N2CCCC2
InChi:	InChI=1S/C10H13BBrNO/c12-9-5-8(11-14)6-10(7-9)13-3-1-2-4-13/h5-7,11,14H,1-4H2
Definition date:	2016-11-21
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid

SJ1

SJ1
Name:	N-(ISOBUTOXYCARBONYL)-D-SERYL-N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-L-ALANINAMIDE
Formula:	C17 H32 N6 O6
SMILES:	O=C(NC(C(=O)NC(C=O)CCCNC(=[N@H])N)C)C(NC(=O)OCC(C)C)CO
InChi:	InChI=1S/C17H32N6O6/c1-10(2)9-29-17(28)23-13(8-25)15(27)21-11(3)14(26)22-12(7-24)5-4-6-20-16(18)19/h7,10-13,25H,4-6,8-9H2,1-3H3,(H,21,27)(H,22,26)(H,23,28)(H4,18,19,20)/t11-,12-,13+/m0/s1
Definition date:	2004-06-15
Last modified:	2024-09-27
Identifier:	N-[(2-methylpropoxy)carbonyl]-D-seryl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-alaninamide

SJ2

SJ2
Name:	~{N}-[(2~{S})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{N}-methyl-ethanamide
Formula:	C9 H20 N4 O2
SMILES:	CN([CH](CO)CCCNC(N)=N)C(C)=O
InChi:	InChI=1S/C9H20N4O2/c1-7(15)13(2)8(6-14)4-3-5-12-9(10)11/h8,14H,3-6H2,1-2H3,(H4,10,11,12)/t8-/m0/s1
Definition date:	2020-11-16
Last modified:	2024-09-27
Release date:	2021-12-01
Identifier:	~{N}-[(2~{S})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{N}-methyl-ethanamide

7NW

7NW
Name:	2-methyl-1,3-thiazole-4-carboxylic acid
Formula:	C5 H5 N O2 S
SMILES:	Cc1scc(n1)C(O)=O
InChi:	InChI=1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
Definition date:	2016-11-29
Last modified:	2024-09-27
Release date:	2017-12-20
Identifier:	2-methyl-1,3-thiazole-4-carboxylic acid

7NX

7NX
Name:	cyclohexylmethyl hydrogen carbonate
Formula:	C8 H14 O3
SMILES:	OC(=O)OCC1CCCCC1
InChi:	InChI=1S/C8H14O3/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
Definition date:	2016-11-29
Last modified:	2024-09-27
Release date:	2017-12-20
Identifier:	cyclohexylmethyl hydrogen carbonate

SJ8

SJ8
Name:	(~{E})-3-(4-fluorophenyl)prop-2-enoic acid
Formula:	C9 H7 F O2
SMILES:	OC(=O)C=Cc1ccc(F)cc1
InChi:	InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
Definition date:	2020-11-16
Last modified:	2024-09-27
Release date:	2021-12-01
Identifier:	(~{E})-3-(4-fluorophenyl)prop-2-enoic acid

7O3

7O3
Name:	2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide
Formula:	C16 H12 Cl2 N4 O2
SMILES:	Oc1ccc(Cl)c(Nc2ncnc3cc(NC(=O)CCl)ccc23)c1
InChi:	InChI=1S/C16H12Cl2N4O2/c17-7-15(24)21-9-1-3-11-13(5-9)19-8-20-16(11)22-14-6-10(23)2-4-12(14)18/h1-6,8,23H,7H2,(H,21,24)(H,19,20,22)
Definition date:	2016-12-01
Last modified:	2024-09-27
Release date:	2017-05-17
Identifier:	2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide

7O5

7O5
Name:	(2~{S})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid
Formula:	C5 H10 N2 O3 S
SMILES:	N[CH](CNC(=O)CS)C(O)=O
InChi:	InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-7-4(8)2-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
Definition date:	2016-12-01
Last modified:	2024-09-27
Release date:	2020-05-27
Identifier:	(2~{S})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid

SJF

SJF
Name:	(1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide
Formula:	C23 H29 Cl2 N3 O5
SMILES:	O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)COc1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C23H29Cl2N3O5/c24-18-5-4-16(9-19(18)25)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-15(11-29)8-13-6-7-26-22(13)31/h4-5,9,13-15,17,21,29H,1-3,6-8,10-12H2,(H,26,31)(H,27,32)/t13-,14-,15-,17-,21-/m0/s1
Definition date:	2023-08-28
Last modified:	2024-09-27
Release date:	2024-08-28
Identifier:	(1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide

SJK

SJK
Name:	5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Formula:	C9 H11 N3 O2 S2
SMILES:	SCCNC(=O)C1=CN=C2SCCN2C1=O
InChi:	InChI=1S/C9H11N3O2S2/c13-7(10-1-3-15)6-5-11-9-12(8(6)14)2-4-16-9/h5,15H,1-4H2,(H,10,13)
Definition date:	2020-11-17
Last modified:	2024-09-27
Release date:	2020-12-09
Identifier:	5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

SJT

SJT
Name:	spliceostatin A (form II)
Formula:	C28 H45 N O8
SMILES:	CO[C]1(C)C[C](C)(O)[CH](O)[CH](O1)C=CC(C)=CC[CH]2O[CH](C)[CH](C[CH]2C)NC(=O)C=C[CH](C)OC(C)=O
InChi:	InChI=1S/C28H45NO8/c1-17(10-13-24-26(32)27(6,33)16-28(7,34-8)37-24)9-12-23-18(2)15-22(20(4)36-23)29-25(31)14-11-19(3)35-21(5)30/h9-11,13-14,18-20,22-24,26,32-33H,12,15-16H2,1-8H3,(H,29,31)/b13-10+,14-11-,17-9+/t18-,19-,20+,22+,23-,24+,26+,27-,28-/m0/s1
Synonyms:	[(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-6-[(2~{E},4~{E})-5-[(2~{R},3~{R},4~{S},6~{S})-6-methoxy-4,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate
Definition date:	2020-11-20
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	[(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-6-[(2~{E},4~{E})-5-[(2~{R},3~{R},4~{S},6~{S})-6-methoxy-4,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate

SJW

SJW
Name:	3-pyridin-3-ylpropanal
Formula:	C8 H9 N O2
SMILES:	OC(=O)CCc1cccnc1
InChi:	InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)
Definition date:	2020-11-20
Last modified:	2024-09-27
Release date:	2021-12-01
Identifier:	3-pyridin-3-ylpropanoic acid

7OZ

7OZ
Name:	(S)-2-amino-4-fluorobutanoic acid
Formula:	C4 H8 F N O2
SMILES:	N[CH](CCF)C(O)=O
InChi:	InChI=1S/C4H8FNO2/c5-2-1-3(6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1
Synonyms:	(2S)-2-azanyl-4-fluoranyl-butanoic acid
Definition date:	2021-08-16
Last modified:	2024-09-27
Release date:	2022-03-09
Identifier:	(2~{S})-2-azanyl-4-fluoranyl-butanoic acid

7P6

7P6
Name:	[(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
Formula:	C6 H13 O8 P
SMILES:	O[CH]1CO[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H13O8P/c7-3-1-13-4(6(9)5(3)8)2-14-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
Definition date:	2023-03-02
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

SKG

SKG
Name:	4-methylisoleucine
Formula:	C7 H15 N O2
SMILES:	CC(C)[CH](C)[CH](N)C(O)=O
InChi:	InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1
Synonyms:	2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid
Definition date:	2020-03-10
Last modified:	2024-09-27
Release date:	2020-05-20
Identifier:	(2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid

SKJ

SKJ
Name:	beta-methylnorleucine
Formula:	C7 H15 N O2
SMILES:	CCC[CH](C)[CH](N)C(O)=O
InChi:	InChI=1S/C7H15NO2/c1-3-4-5(2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1
Synonyms:	(2~{S},3~{R})-2-azanyl-3-methyl-hexanoic acid
Definition date:	2020-03-10
Last modified:	2024-09-27
Release date:	2020-05-20
Identifier:	(2~{S},3~{R})-2-azanyl-3-methyl-hexanoic acid

SKL

SKL
Name:	2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide
Formula:	C21 H14 Cl N3 O4
SMILES:	[O-][N+](=O)c1cc(c(Cl)cc1)C(=O)Nc1ccc(cc1)c1nc2cc(C)ccc2o1
InChi:	InChI=1S/C21H14ClN3O4/c1-12-2-9-19-18(10-12)24-21(29-19)13-3-5-14(6-4-13)23-20(26)16-11-15(25(27)28)7-8-17(16)22/h2-11H,1H3,(H,23,26)
Definition date:	2022-07-07
Last modified:	2024-09-27
Release date:	2022-09-07
Identifier:	2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide

SKN

SKN
Name:	((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid
Formula:	C24 H27 B N4 O4
SMILES:	CCc1cccc(C[CH](NC(=O)[CH](Cc2ccccc2)NC(=O)c3cnccn3)B(O)O)c1
InChi:	InChI=1S/C24H27BN4O4/c1-2-17-9-6-10-19(13-17)15-22(25(32)33)29-23(30)20(14-18-7-4-3-5-8-18)28-24(31)21-16-26-11-12-27-21/h3-13,16,20,22,32-33H,2,14-15H2,1H3,(H,28,31)(H,29,30)/t20-,22-/m0/s1
Synonyms:	[(1~{R})-2-(3-ethylphenyl)-1-[[(2~{S})-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]ethyl]boronic acid
Definition date:	2020-11-23
Last modified:	2024-09-27
Release date:	2021-12-01
Identifier:	[(1~{R})-2-(3-ethylphenyl)-1-[[(2~{S})-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]ethyl]boronic acid

SL1

SL1
Name:	N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]-2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4-BENZODIAZEPIN-1-YL}ACETAMIDE
Formula:	C30 H33 N7 O5 S
SMILES:	O=CC(NC(=O)CN1C(=O)C(N=C(c2ccccc12)c3ccccc3)NS(=O)(=O)Cc4ccccc4)CCCNC(=[N@H])N
InChi:	InChI=1S/C30H33N7O5S/c31-30(32)33-17-9-14-23(19-38)34-26(39)18-37-25-16-8-7-15-24(25)27(22-12-5-2-6-13-22)35-28(29(37)40)36-43(41,42)20-21-10-3-1-4-11-21/h1-8,10-13,15-16,19,23,28,36H,9,14,17-18,20H2,(H,34,39)(H4,31,32,33)/t23-,28+/m0/s1
Definition date:	2004-06-15
Last modified:	2024-09-27
Identifier:	2-{(3R)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}-N-[(1S)-4-carbamimidamido-1-formylbutyl]acetamide

SL5

SL5
Name:	(2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
Formula:	C8 H15 N O5
SMILES:	O=C(O)C1NC(OC1C)COCCO
InChi:	InChI=1S/C8H15NO4.H2O/c1-3-12-4-6-9-7(8(10)11)5(2)13-6
Definition date:	2012-06-06
Last modified:	2024-09-27
Release date:	2013-06-26
Identifier:	(2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid

SLA

SLA
Name:	Omuralide, open form
Formula:	C10 H17 N O4
SMILES:	O=CC1(NC(=O)C(C1O)C)C(O)C(C)C
InChi:	InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1
Synonyms:	(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde
Definition date:	2011-06-04
Last modified:	2024-09-27
Identifier:	(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde

SLH

SLH
Name:	(2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
Formula:	C25 H35 N5 O2
SMILES:	C3C1C(CCCC1)CC(CNC(C=O)Cc2ncnc2)N3C(=O)CCNc4ccccc4
InChi:	InChI=1S/C25H35N5O2/c31-17-23(13-22-14-26-18-29-22)28-15-24-12-19-6-4-5-7-20(19)16-30(24)25(32)10-11-27-21-8-2-1-3-9-21/h1-3,8-9,14,17-20,23-24,27-28H,4-7,10-13,15-16H2,(H,26,29)/t19-,20-,23-,24+/m0/s1
Definition date:	2015-07-03
Last modified:	2024-09-27
Release date:	2016-06-22
Identifier:	(2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal

SLL

SLL
Name:	(2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid
Formula:	C10 H18 N2 O5
SMILES:	O=C(O)C(N)CCCCNC(=O)CCC(=O)O
InChi:	InChI=1S/C10H18N2O5/c11-7(10(16)17)3-1-2-6-12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
Synonyms:	6-N-succinyl-L-lysine
Definition date:	2010-03-04
Last modified:	2024-09-27
Identifier:	N~6~-(3-carboxypropanoyl)-L-lysine

SLR

SLR
Name:	(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
Formula:	C10 H17 N O5
SMILES:	O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C
InChi:	InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1
Definition date:	2008-07-29
Last modified:	2024-09-27
Identifier:	(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline

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