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EBH

EBH
Name:	(2S)-1-bromopropan-2-ol
Formula:	C3 H7 Br O
SMILES:	BrCC(O)C
InChi:	InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1
Definition date:	2012-02-10
Last modified:	2024-09-27
Release date:	2013-08-07
Identifier:	(2S)-1-bromopropan-2-ol

EBJ

EBJ
Name:	1H-1,2,3-triazole-5-thiol
Formula:	C2 H3 N3 S
SMILES:	Sc1nnnc1
InChi:	InChI=1S/C2H3N3S/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)
Definition date:	2017-12-18
Last modified:	2024-09-27
Release date:	2018-01-03
Identifier:	1H-1,2,3-triazole-5-thiol

EBQ

EBQ
Name:	(3S)-3-hydroxybutyl alpha-D-glucopyranoside
Formula:	C10 H20 O7
SMILES:	C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6+,7+,8-,9+,10-/m0/s1
Synonyms:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol
Definition date:	2010-06-04
Last modified:	2024-09-27
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol

EC6

EC6
Name:	N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide
Formula:	C28 H54 N4 O5
SMILES:	O=C(NC(C(O)C(CC)C)CC(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C
InChi:	InChI=1S/C28H54N4O5/c1-10-12-13-14-23(33)31-25(19(5)6)28(37)29-21(15-16-24(34)32(8)9)27(36)30-22(17-18(3)4)26(35)20(7)11-2/h18-22,25-26,35H,10-17H2,1-9H3,(H,29,37)(H,30,36)(H,31,33)/t20-,21+,22+,25+,26+/m1/s1
Synonyms:	Double bound form of enone carmaphycin analogue 6
Definition date:	2013-09-06
Last modified:	2024-09-27
Release date:	2014-07-02
Identifier:	N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide

ED0

ED0
Name:	4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile
Formula:	C16 H12 F3 N3
SMILES:	FC(F)(F)c1ccccc1Nc1cccc2CN(Cc21)C#N
InChi:	InChI=1S/C16H12F3N3/c17-16(18,19)13-5-1-2-6-15(13)21-14-7-3-4-11-8-22(10-20)9-12(11)14/h1-7,21H,8-9H2
Definition date:	2021-12-06
Last modified:	2024-09-27
Release date:	2023-06-14
Identifier:	4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile

EDN

EDN
Name:	ETHANE-1,2-DIAMINE
Formula:	C2 H8 N2
SMILES:	NCCN
InChi:	InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
Synonyms:	ETHYLENEDIAMINE
Definition date:	2010-11-15
Last modified:	2024-09-27
Identifier:	ethane-1,2-diamine

EDX

EDX
Name:	(2~{S})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid
Formula:	C15 H22 N4 O4
SMILES:	NC(=N)NCCCC[CH](NC(=O)OCc1ccccc1)C(O)=O
InChi:	InChI=1S/C15H22N4O4/c16-14(17)18-9-5-4-8-12(13(20)21)19-15(22)23-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,19,22)(H,20,21)(H4,16,17,18)/t12-/m0/s1
Definition date:	2019-12-13
Last modified:	2024-09-27
Release date:	2020-10-28
Identifier:	(2~{S})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid

EE0

EE0
Name:	(2~{R})-2-azanylpentanoic acid
Formula:	C5 H11 N O2
SMILES:	CCC[CH](N)C(O)=O
InChi:	InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
Definition date:	2019-12-13
Last modified:	2024-09-27
Release date:	2020-10-28
Identifier:	(2~{R})-2-azanylpentanoic acid

EE3

EE3
Name:	(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid
Formula:	C10 H15 N3 O4
SMILES:	N[CH](CCCCNC(=O)c1ocnc1)C(O)=O
InChi:	InChI=1S/C10H15N3O4/c11-7(10(15)16)3-1-2-4-13-9(14)8-5-12-6-17-8/h5-7H,1-4,11H2,(H,13,14)(H,15,16)/t7-/m0/s1
Definition date:	2019-12-13
Last modified:	2024-09-27
Release date:	2020-10-28
Identifier:	(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid

EEN

EEN
Name:	2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose
Formula:	C8 H13 F2 N O6
SMILES:	OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O
InChi:	InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8+/m1/s1
Synonyms:	N-DIFLUOROACETYL-D-GALACTOSAMINE
Definition date:	2018-03-16
Last modified:	2024-09-27
Release date:	2019-02-20
Identifier:	2,2-bis(fluoranyl)-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

EEP

EEP
Name:	(2S,4R)-2-amino-4,5-dihydroxy-4-methylpentanoic acid
Formula:	C6 H13 N O4
SMILES:	C(C)(O)(CC(C(=O)O)N)CO
InChi:	InChI=1S/C6H13NO4/c1-6(11,3-8)2-4(7)5(9)10/h4,8,11H,2-3,7H2,1H3,(H,9,10)/t4-,6+/m0/s1
Definition date:	2018-01-05
Last modified:	2024-09-27
Release date:	2018-01-31
Identifier:	(2S,4R)-2-amino-4,5-dihydroxy-4-methylpentanoic acid (non-preferred name)

EEQ

EEQ
Name:	2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose
Formula:	C8 H14 F N O6
SMILES:	OC[CH]1O[CH](O)[CH](NC(=O)CF)[CH](O)[CH]1O
InChi:	InChI=1S/C8H14FNO6/c9-1-4(12)10-5-7(14)6(13)3(2-11)16-8(5)15/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3-,5-,6+,7-,8+/m1/s1
Synonyms:	2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
Definition date:	2018-03-16
Last modified:	2024-09-27
Release date:	2019-02-20
Identifier:	2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

EET

EET
Name:	(5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid
Formula:	C20 H34 O4
SMILES:	CCCCC[CH](O)[CH](O)CC=CCC=CCC=CCCCC(O)=O
InChi:	InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-/t18-,19-/m1/s1
Definition date:	2016-05-17
Last modified:	2024-09-27
Release date:	2017-01-11
Identifier:	(5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid

EEY

EEY
Name:	2-chloro-5-nitro-N-(pyridin-4-yl)benzamide
Formula:	C12 H8 Cl N3 O3
SMILES:	C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl)=O
InChi:	InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
Definition date:	2018-01-08
Last modified:	2024-09-27
Release date:	2018-12-12
Identifier:	2-chloro-5-nitro-N-(pyridin-4-yl)benzamide

EFH

EFH
Name:	(3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one
Formula:	C28 H24 F N5 O4
SMILES:	Fc1cccc(c1)[CH]2[CH](N(C3CCN(CC3)C(=O)n4nnc5ccccc45)C2=O)c6ccc7OCOc7c6
InChi:	InChI=1S/C28H24FN5O4/c29-19-5-3-4-17(14-19)25-26(18-8-9-23-24(15-18)38-16-37-23)33(27(25)35)20-10-12-32(13-11-20)28(36)34-22-7-2-1-6-21(22)30-31-34/h1-9,14-15,20,25-26H,10-13,16H2/t25-,26-/m1/s1
Definition date:	2023-07-18
Last modified:	2024-09-27
Release date:	2024-01-31
Identifier:	(3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one

EFI

EFI
Name:	(3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile
Formula:	C16 H18 F3 N3
SMILES:	FC(F)(F)c1cc(ccc1)NC1CCCC2CN(CC21)C#N
InChi:	InChI=1S/C16H18F3N3/c17-16(18,19)12-4-2-5-13(7-12)21-15-6-1-3-11-8-22(10-20)9-14(11)15/h2,4-5,7,11,14-15,21H,1,3,6,8-9H2/t11-,14+,15-/m1/s1
Definition date:	2021-12-06
Last modified:	2024-09-27
Release date:	2023-06-14
Identifier:	(3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile

EGF

EGF
Name:	~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Formula:	C33 H41 N5 O8
SMILES:	CC(C)[CH](NC(=O)c1cc(C)on1)C(=O)N[CH]2[CH](OCCC=CCOC(=O)C=C[CH](C[CH]3CCNC3=O)NC2=O)c4ccccc4
InChi:	InChI=1S/C33H41N5O8/c1-20(2)27(36-31(41)25-18-21(3)46-38-25)32(42)37-28-29(22-10-6-4-7-11-22)45-17-9-5-8-16-44-26(39)13-12-24(35-33(28)43)19-23-14-15-34-30(23)40/h4-8,10-13,18,20,23-24,27-29H,9,14-17,19H2,1-3H3,(H,34,40)(H,35,43)(H,36,41)(H,37,42)/b8-5+,13-12-/t23-,24+,27-,28-,29-/m0/s1
Definition date:	2019-12-20
Last modified:	2024-09-27
Release date:	2020-06-17
Identifier:	~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

EGK

EGK
Name:	(3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile
Formula:	C16 H18 F3 N3
SMILES:	FC(F)(F)c1ccccc1NC1CCCC2CN(CC21)C#N
InChi:	InChI=1S/C16H18F3N3/c17-16(18,19)13-5-1-2-6-15(13)21-14-7-3-4-11-8-22(10-20)9-12(11)14/h1-2,5-6,11-12,14,21H,3-4,7-9H2/t11-,12+,14-/m1/s1
Definition date:	2021-12-06
Last modified:	2024-09-27
Release date:	2023-06-14
Identifier:	(3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile

44S

44S
Name:	2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
Formula:	C6 H13 O8 P
SMILES:	O=P(O)(O)OCC(O)C1OC(O)CC1O
InChi:	InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
Synonyms:	tagatose-6-phosphate, bound form
Definition date:	2015-02-11
Last modified:	2024-09-27
Release date:	2016-01-20
Identifier:	2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose

451

451
Name:	N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
Formula:	C22 H27 N O7
SMILES:	O=C(Nc2ccc1OCCOCCOc3ccccc3OCCOCCOc1c2)C
InChi:	InChI=1S/C22H27NO7/c1-17(24)23-18-6-7-21-22(16-18)30-15-11-26-9-13-28-20-5-3-2-4-19(20)27-12-8-25-10-14-29-21/h2-7,16H,8-15H2,1H3,(H,23,24)
Synonyms:	N-(Dibenzo-18-crown-6-ether)-acetamide
Definition date:	2009-01-28
Last modified:	2024-09-27
Identifier:	N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide

45F

45F
Name:	(4S)-4-(prop-2-yn-1-yloxy)-L-proline
Formula:	C8 H11 N O3
SMILES:	O=C(O)C1NCC(OCC#C)C1
InChi:	InChI=1S/C8H11NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6-,7-/m0/s1
Definition date:	2015-02-09
Last modified:	2024-09-27
Release date:	2015-02-25
Identifier:	(4S)-4-(prop-2-yn-1-yloxy)-L-proline

45W

45W
Name:	(4S)-4-(ethynyloxy)-D-proline
Formula:	C7 H9 N O3
SMILES:	O=C(O)C1NCC(OC#C)C1
InChi:	InChI=1S/C7H9NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h1,5-6,8H,3-4H2,(H,9,10)/t5-,6+/m0/s1
Definition date:	2015-02-10
Last modified:	2024-09-27
Release date:	2015-05-13
Identifier:	(4S)-4-(ethynyloxy)-D-proline

46Z

46Z
Name:	(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate
Formula:	C12 H16 F O7 P
SMILES:	O=P(O)(OC1OC(O)C(F)C1O)OCCc2ccccc2
InChi:	InChI=1S/C12H16FO7P/c13-9-10(14)12(19-11(9)15)20-21(16,17)18-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-15H,6-7H2,(H,16,17)/t9-,10-,11-,12+/m0/s1
Synonyms:	Inhibitor CZ-46 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:	2011-05-12
Last modified:	2024-09-27
Identifier:	(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate

47J

47J
Name:	1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine
Formula:	C6 H11 N3
SMILES:	n1c(cc(n1C)CN)C
InChi:	InChI=1S/C6H11N3/c1-5-3-6(4-7)9(2)8-5/h3H,4,7H2,1-2H3
Definition date:	2015-02-11
Last modified:	2024-09-27
Release date:	2016-03-02
Identifier:	1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine

48V

48V
Name:	{[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
Formula:	C5 H10 N2 O3 S
SMILES:	O=C(N)C(N)CSCC(=O)O
InChi:	InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1
Definition date:	2015-02-13
Last modified:	2024-09-27
Release date:	2015-09-23
Identifier:	{[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid

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