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5F2

5F2
Name:	ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Formula:	C22 H29 N3 O5
SMILES:	N2CCC(CC(/C=CC(=O)OCC)NC(C(NC(C)=O)Cc1ccccc1)=O)C2=O
InChi:	InChI=1S/C22H29N3O5/c1-3-30-20(27)10-9-18(14-17-11-12-23-21(17)28)25-22(29)19(24-15(2)26)13-16-7-5-4-6-8-16/h4-10,17-19H,3,11-14H2,1-2H3,(H,23,28)(H,24,26)(H,25,29)/t17-,18+,19-/m0/s1
Definition date:	2015-09-18
Last modified:	2024-09-27
Release date:	2016-03-30
Identifier:	ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

5FQ

5FQ
Name:	N-pentyl-L-alaninamide
Formula:	C8 H18 N2 O
SMILES:	CCCCCNC(C(C)N)=O
InChi:	InChI=1S/C8H18N2O/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1
Definition date:	2015-09-21
Last modified:	2024-09-27
Release date:	2016-03-30
Identifier:	N-pentyl-L-alaninamide

5FU

5FU
Name:	5-FLUORO-URIDINE-5'-MONOPHOSPHATE
Formula:	C9 H12 F N2 O9 P
SMILES:	FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
Definition date:	2007-02-02
Last modified:	2024-09-27
Identifier:	5-fluorouridine 5'-(dihydrogen phosphate)

5GF

5GF
Name:	5-fluoro-beta-D-glucopyranose
Formula:	C6 H11 F O6
SMILES:	FC1(OC(O)C(O)C(O)C1O)CO
InChi:	InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	5-fluoro-beta-D-glucose
Definition date:	2012-09-09
Last modified:	2024-09-27
Release date:	2012-11-09
Identifier:	(2R,3R,4R,5S,6S)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)

5GG

5GG
Name:	Deoxyhypusine
Formula:	C10 H23 N3 O2
SMILES:	NC(C(=O)O)CCCCNCCCCN
InChi:	InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1
Definition date:	2015-09-23
Last modified:	2024-09-27
Release date:	2016-01-20
Identifier:	N~6~-(4-aminobutyl)-L-lysine

5GH

5GH
Name:	ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
Formula:	C20 H26 N2 O4
SMILES:	N2CCC(CC(NC(CCc1ccccc1)=O)[C@H]=[C@H]C(OCC)=O)C2=O
InChi:	InChI=1S/C20H26N2O4/c1-2-26-19(24)11-9-17(14-16-12-13-21-20(16)25)22-18(23)10-8-15-6-4-3-5-7-15/h3-7,9,11,16-17H,2,8,10,12-14H2,1H3,(H,21,25)(H,22,23)/b11-9-/t16-,17+/m0/s1
Definition date:	2015-09-24
Last modified:	2024-09-27
Release date:	2016-03-30
Identifier:	ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate

5GI

5GI
Name:	~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Formula:	C22 H25 F N4 O5
SMILES:	Cc1onc(c1)C(=O)N[CH](Cc2ccc(F)cc2)C(=O)N[CH](C[CH]3CCCNC3=O)C=O
InChi:	InChI=1S/C22H25FN4O5/c1-13-9-19(27-32-13)22(31)26-18(10-14-4-6-16(23)7-5-14)21(30)25-17(12-28)11-15-3-2-8-24-20(15)29/h4-7,9,12,15,17-18H,2-3,8,10-11H2,1H3,(H,24,29)(H,25,30)(H,26,31)/t15-,17-,18-/m0/s1
Definition date:	2016-08-25
Last modified:	2024-09-27
Release date:	2017-05-31
Identifier:	~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

5GM

5GM
Name:	(4S)-2,4-dimethyl-L-norleucine
Formula:	C8 H17 N O2
SMILES:	NC(C(=O)O)(CC(C)CC)C
InChi:	InChI=1S/C8H17NO2/c1-4-6(2)5-8(3,9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-,8-/m0/s1
Definition date:	2015-09-24
Last modified:	2024-09-27
Release date:	2016-07-20
Identifier:	(4S)-2,4-dimethyl-L-norleucine

5GP

5GP
Name:	GUANOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O8 P
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:	InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5'-guanylic acid

5H
Name:	5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
Formula:	C16 H13 Br N2 O3 S3
SMILES:	O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Br)cc2)c3ccccc3
InChi:	InChI=1S/C16H13BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-9,14,18H,10H2/t14-/m1/s1
Definition date:	2005-09-22
Last modified:	2024-09-27
Identifier:	N-[(5R)-5-(4-bromobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide

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

DG9

DG9
Name:	5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine
Formula:	C27 H48 N9 O12 P S2
SMILES:	O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(N)C(C)C
InChi:	InChI=1S/C27H48N9O12PS2/c1-14(2)18(28)16(50-8-7-30-17(37)5-6-31-25(41)22(40)27(3,4)11-47-49(42,43)44)10-51(45,46)35-9-15-20(38)21(39)26(48-15)36-13-34-19-23(29)32-12-33-24(19)36/h12-16,18,20-22,26,35,38-40H,5-11,28H2,1-4H3,(H,30,37)(H,31,41)(H2,29,32,33)(H2,42,43,44)/t15-,16+,18-,20-,21-,22+,26-/m1/s1
Definition date:	2012-01-30
Last modified:	2024-09-27
Identifier:	5'-{[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentane-1-sulfonyl]amino}-5'-deoxyadenosine

DGA

DGA
Name:	DIACYL GLYCEROL
Formula:	C39 H76 O5
SMILES:	O=C(OC(COC(=O)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
Definition date:	2001-10-31
Last modified:	2024-09-27
Identifier:	(2S)-3-hydroxypropane-1,2-diyl dioctadecanoate

DGF

DGF
Name:	(2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C12 H17 N O5 S
SMILES:	O=C(O)C1=NC(SC1C2OCCC2)C(C=O)C(O)C
InChi:	InChI=1S/C12H17NO5S/c1-6(15)7(5-14)11-13-9(12(16)17)10(19-11)8-3-2-4-18-8/h5-8,10-11,15H,2-4H2,1H3,(H,16,17)/t6-,7-,8-,10+,11-/m1/s1
Synonyms:	FAROPENEM PRODUCT, BOUND FORM
Definition date:	2012-03-28
Last modified:	2024-09-27
Release date:	2016-09-28
Identifier:	(2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid

DH3

DH3
Name:	2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE
Formula:	C19 H22 N4 O4
SMILES:	O=C(O)CCCC#Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N
InChi:	InChI=1S/C19H22N4O4/c1-26-15-10-12(9-14-11-22-19(21)23-18(14)20)8-13(17(15)27-2)6-4-3-5-7-16(24)25/h8,10-11H,3,5,7,9H2,1-2H3,(H,24,25)(H4,20,21,22,23)
Definition date:	2006-02-15
Last modified:	2024-09-27
Identifier:	6-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}hex-5-ynoic acid

DH4

DH4
Name:	2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C15 H25 N3 O3 S
SMILES:	O=C(O)C1NC(SC1(C)C)C(/N=C/N2CCCCCC2)C=O
InChi:	InChI=1S/C15H25N3O3S/c1-15(2)12(14(20)21)17-13(22-15)11(9-19)16-10-18-7-5-3-4-6-8-18/h9-13,17H,3-8H2,1-2H3,(H,20,21)/b16-10+/t11-,12?,13?/m1/s1
Synonyms:	Mecillinam, bound form
Definition date:	2010-06-25
Last modified:	2024-09-27
Identifier:	2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

DH9

DH9
Name:	(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID
Formula:	C29 H55 N O6
SMILES:	O=C(OC(CC(O)C(C(=O)O)CCCCCC)CCCCCCCCCCC)C(NC=O)CC(C)C
InChi:	InChI=1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25-,26-,27-/m0/s1
Definition date:	2007-06-06
Last modified:	2024-09-27
Identifier:	(2S,3S,5S)-5-[(N-formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid

DHA

DHA
Name:	2-AMINO-ACRYLIC ACID
Formula:	C3 H5 N O2
SMILES:	O=C(O)C(=C)N
InChi:	InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
Synonyms:	2,3-DIDEHYDROALANINE
Definition date:	1999-11-22
Last modified:	2024-09-27
Identifier:	2-aminoprop-2-enoic acid

DHC

DHC
Name:	CAFFEIC ACID
Formula:	C9 H8 O4
SMILES:	O=C(O)C=Cc1cc(O)c(O)cc1
InChi:	InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
Synonyms:	3,4-DIHYDROXYCINNAMIC ACID
Definition date:	2002-01-09
Last modified:	2024-09-27
Identifier:	(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

DHK

DHK
Name:	3-DEHYDROSHIKIMATE
Formula:	C7 H10 O5
SMILES:	O=C(O)C1C=C(O)C(O)C(O)C1
InChi:	InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,3,5-6,8-10H,2H2,(H,11,12)/t3-,5-,6-/m1/s1
Definition date:	2002-01-22
Last modified:	2024-09-27
Identifier:	(1S,4S,5R)-3,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid

DHS

DHS
Name:	3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE
Formula:	C7 H10 N O4
SMILES:	[O-]C(=O)C1=CC(N)C(O)C(O)C1
InChi:	InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/p-1/t4-,5+,6+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S,4R,5R)-3-amino-4,5-dihydroxycyclohex-1-ene-1-carboxylate

DHV

DHV
Name:	3-hydroxy-D-valine
Formula:	C5 H11 N O3
SMILES:	O=C(O)C(N)C(O)(C)C
InChi:	InChI=1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
Synonyms:	D-beta-hydroxyvaline
Definition date:	2008-06-03
Last modified:	2024-09-27
Identifier:	3-hydroxy-D-valine

DI2

DI2
Name:	AC-(D)PHE-PRO-BOROLYS-OH
Formula:	C21 H33 B N4 O5
SMILES:	O=C(NC(B(O)O)CCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:	InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-D-phenylalanyl-N-[(1R)-5-amino-1-(dihydroxyboranyl)pentyl]-L-prolinamide

DI3

DI3
Name:	AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH
Formula:	C22 H34 B N5 O5
SMILES:	O=C(NC(B(O)O)CCCCC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:	InChI=1S/C22H34BN5O5/c1-15(29)26-17(14-16-8-3-2-4-9-16)22(31)28-13-7-10-18(28)21(30)27-19(23(32)33)11-5-6-12-20(24)25/h2-4,8-9,17-19,32-33H,5-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t17-,18+,19+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-D-phenylalanyl-N-[(1R,6Z)-6-amino-1-(dihydroxyboranyl)-6-iminohexyl]-L-prolinamide

DI4

DI4
Name:	AC-(D)PHE-PRO-BOROHOMOLYS-OH
Formula:	C22 H35 B N4 O5
SMILES:	O=C(NC(B(O)O)CCCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:	InChI=1S/C22H35BN4O5/c1-16(28)25-18(15-17-9-4-2-5-10-17)22(30)27-14-8-11-19(27)21(29)26-20(23(31)32)12-6-3-7-13-24/h2,4-5,9-10,18-20,31-32H,3,6-8,11-15,24H2,1H3,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-D-phenylalanyl-N-[(1R)-6-amino-1-(dihydroxyboranyl)hexyl]-L-prolinamide

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