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5LL

5LL
Name:	5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
Formula:	C11 H8 N2 O4
SMILES:	O=C1NC(=O)C(=CC=Cc2occc2)C(=O)N1
InChi:	InChI=1S/C11H8N2O4/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+
Definition date:	2015-10-20
Last modified:	2024-09-27
Release date:	2016-10-19
Identifier:	5-[(~{E})-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione

5LM

5LM
Name:	5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
Formula:	C11 H8 N2 O3 S
SMILES:	O=C1NC(=O)C(=CC=Cc2sccc2)C(=O)N1
InChi:	InChI=1S/C11H8N2O3S/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+
Definition date:	2015-10-20
Last modified:	2024-09-27
Release date:	2016-10-19
Identifier:	5-[(~{E})-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione

5MW

5MW
Name:	(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid
Formula:	C8 H15 N5 O2
SMILES:	NCc1cn(CCC[CH](N)C(O)=O)nn1
InChi:	InChI=1S/C8H15N5O2/c9-4-6-5-13(12-11-6)3-1-2-7(10)8(14)15/h5,7H,1-4,9-10H2,(H,14,15)/t7-/m0/s1
Definition date:	2015-10-23
Last modified:	2024-09-27
Release date:	2016-05-18
Identifier:	(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid

5NH

5NH
Name:	1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE
Formula:	C39 H58 N6 O8
SMILES:	O=C(N2C(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)CCCC)C3CC2CC3)C(NC(=O)OC(C)(C)C)C4CCCCC4
InChi:	InChI=1S/C39H58N6O8/c1-7-8-19-28(33(47)35(49)40-23-29(46)42-30(36(50)44(5)6)24-15-11-9-12-16-24)41-34(48)32-26-20-21-27(22-26)45(32)37(51)31(25-17-13-10-14-18-25)43-38(52)53-39(2,3)4/h9,11-12,15-16,25-28,30-32H,7-8,10,13-14,17-23H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26-,27+,28-,30-,31-,32-/m0/s1
Definition date:	2005-12-23
Last modified:	2024-09-27
Identifier:	tert-butyl {(1S)-1-cyclohexyl-2-[(1R,3S,4S)-3-{[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}pentyl]carbamoyl}-2-azabicyclo[2.2.1]hept-2-yl]-2-oxoethyl}carbamate

5NJ

5NJ
Name:	6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid
Formula:	C13 H18 N O8 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(CCC(=O)CCC(O)=O)c1O
InChi:	InChI=1S/C13H18NO8P/c1-8-13(18)11(4-2-10(15)3-5-12(16)17)9(6-14-8)7-22-23(19,20)21/h6,18H,2-5,7H2,1H3,(H,16,17)(H2,19,20,21)
Definition date:	2015-10-27
Last modified:	2024-09-27
Release date:	2016-10-19
Identifier:	6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid

5OH

5OH
Name:	(2S)-amino[(4R,6S)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
Formula:	C6 H12 N4 O3
SMILES:	N[CH]([CH]1C[CH](O)N=C(N)N1)C(O)=O
InChi:	InChI=1S/C6H12N4O3/c7-4(5(12)13)2-1-3(11)10-6(8)9-2/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)/t2-,3+,4+/m1/s1
Definition date:	2010-02-05
Last modified:	2024-09-27
Identifier:	(2S)-2-azanyl-2-[(4S,6R)-2-azanyl-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]ethanoic acid

5OL

5OL
Name:	N~6~-(1,1-dihydroxyethyl)-L-lysine
Formula:	C8 H18 N2 O4
SMILES:	C(CCCCNC(C)(O)O)(C(=O)O)N
InChi:	InChI=1S/C8H18N2O4/c1-8(13,14)10-5-3-2-4-6(9)7(11)12/h6,10,13-14H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
Definition date:	2015-10-29
Last modified:	2024-09-27
Release date:	2016-07-27
Identifier:	N~6~-(1,1-dihydroxyethyl)-L-lysine

5OM

5OM
Name:	(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid
Formula:	C10 H19 N O5
SMILES:	OC(CCCCCC(N)C(=O)O)(O)C1OC1
InChi:	InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1
Definition date:	2015-10-29
Last modified:	2024-09-27
Release date:	2016-07-27
Identifier:	(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid

5OW

5OW
Name:	(2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid
Formula:	C17 H27 N4 O9 P S
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(c1O)C(NCCCC[CH](N)C(O)=O)=N[CH](CS)C(O)=O
InChi:	InChI=1S/C17H27N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,22,32H,2-5,7-8,18H2,1H3,(H,19,21)(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12-/m0/s1
Definition date:	2015-10-30
Last modified:	2024-09-27
Release date:	2016-11-09
Identifier:	(2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid

5OX

5OX
Name:	(7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid
Formula:	C23 H34 O3
SMILES:	O=C(O)CCCC(=O)C[C@H]=[C@H]CC[C@H]=[C@H]C[C@H]=[C@H]C[C@H]=CCC=C/CC
InChi:	InChI=1S/C23H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-18-21-23(25)26/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-21H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,17-16+
Definition date:	2014-11-26
Last modified:	2024-09-27
Release date:	2015-04-08
Identifier:	(7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid

5PG

5PG
Name:	(2S)-(4-hydroxyphenyl)(methylamino)ethanoic acid
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(NC)c1ccc(O)cc1
InChi:	InChI=1S/C9H11NO3/c1-10-8(9(12)13)6-2-4-7(11)5-3-6/h2-5,8,10-11H,1H3,(H,12,13)/t8-/m0/s1
Synonyms:	N-METHYL-4-HYDROXY-PHENYLGLYCINE
Definition date:	2010-07-29
Last modified:	2024-09-27
Identifier:	(2S)-(4-hydroxyphenyl)(methylamino)ethanoic acid

5PH

5PH
Name:	5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
Formula:	C24 H28 N2 O9 S
SMILES:	O=C(O)c1cc(ccc1O)S(=O)(=O)NCCCCC(c2ccccc2)C(=O)NC(C(=O)C)CC(=O)O
InChi:	InChI=1S/C24H28N2O9S/c1-15(27)20(14-22(29)30)26-23(31)18(16-7-3-2-4-8-16)9-5-6-12-25-36(34,35)17-10-11-21(28)19(13-17)24(32)33/h2-4,7-8,10-11,13,18,20,25,28H,5-6,9,12,14H2,1H3,(H,26,31)(H,29,30)(H,32,33)/t18-,20-/m0/s1
Definition date:	2004-01-09
Last modified:	2024-09-27
Identifier:	5-{[(5S)-6-{[(1S)-1-(carboxymethyl)-2-oxopropyl]amino}-6-oxo-5-phenylhexyl]sulfamoyl}-2-hydroxybenzoic acid

5PL

5PL
Name:	(1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE
Formula:	C67 H129 N2 O15 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)(O)OC(C(=O)NCCCCCCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1NC(=O)C)CO)CCCCCCCCCCCCCC(C)C
InChi:	InChI=1S/C67H129N2O15P/c1-7-8-9-10-11-12-13-14-15-16-17-18-25-30-35-40-45-50-68-66(76)60(54-80-67-63(69-57(6)71)65(75)64(74)59(51-70)83-67)84-85(77,78)81-53-58(82-62(73)49-44-39-34-29-24-20-22-27-32-37-42-47-56(4)5)52-79-61(72)48-43-38-33-28-23-19-21-26-31-36-41-46-55(2)3/h55-56,58-60,63-65,67,70,74-75H,7-54H2,1-6H3,(H,68,76)(H,69,71)(H,77,78)/t58-,59-,60-,63-,64-,65-,67+/m1/s1
Definition date:	2011-03-31
Last modified:	2024-09-27
Identifier:	(1R,4S,6R)-6-({[2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}methyl)-4-hydroxy-1-{[(15-methylhexadecanoyl)oxy]methyl}-4-oxido-7-oxo-3,5-dioxa-8-aza-4-phosphaheptacos-1-yl 15-methylhexadecanoate

5PV

5PV
Name:	5-PHENYLVALERIC ACID
Formula:	C11 H14 O2
SMILES:	O=C(O)CCCCc1ccccc1
InChi:	InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5-phenylpentanoic acid

5QP

5QP
Name:	(1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside
Formula:	C13 H24 O10
SMILES:	OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)C[CH](O)[CH]2CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C13H24O10/c14-2-4-5(16)1-6(17)8(18)12(4)23-13-11(21)10(20)9(19)7(3-15)22-13/h4-21H,1-3H2/t4-,5+,6-,7+,8+,9+,10-,11+,12+,13+/m0/s1
Synonyms:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(1~{R},2~{S},3~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5,6-tris(oxida nyl)cyclohexyl]oxy-oxane-3,4,5-triol
Definition date:	2015-11-10
Last modified:	2024-09-27
Release date:	2016-07-06
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(1~{R},2~{S},3~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5,6-tris(oxida nyl)cyclohexyl]oxy-oxane-3,4,5-triol

5R0

5R0
Name:	4-~{tert}-butylbenzoic acid
Formula:	C11 H14 O2
SMILES:	CC(C)(C)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
Definition date:	2015-11-12
Last modified:	2024-09-27
Release date:	2015-12-16
Identifier:	4-tert-butylbenzoic acid

5R5

5R5
Name:	methyl L-serinate
Formula:	C4 H9 N O3
SMILES:	NC(C(=O)OC)CO
InChi:	InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1
Synonyms:	methyl (2~{S})-2-azanyl-3-oxidanyl-propanoate
Definition date:	2015-11-13
Last modified:	2024-09-27
Release date:	2015-12-16
Identifier:	methyl L-serinate

5R7

5R7
Name:	(2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)meth yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Formula:	C15 H26 N4 O6 S2
SMILES:	CC(O)C(C=O)C2N=C(C(O)=O)C(SC1CNC(CNS(N)(=O)=O)C1)C2C
InChi:	InChI=1S/C15H26N4O6S2/c1-7-12(11(6-20)8(2)21)19-13(15(22)23)14(7)26-10-3-9(17-5-10)4-18-27(16,24)25/h6-12,14,17-18,21H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t7-,8-,9+,10+,11-,12-,14-/m1/s1
Synonyms:	Doripenem(open form, pyrroline tautomer form 3, SP3 connection to Thio as R isomer)
Definition date:	2015-11-16
Last modified:	2024-09-27
Release date:	2015-11-25
Identifier:	(2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid

5RP

5RP
Name:	RIBULOSE-5-PHOSPHATE
Formula:	C5 H11 O8 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(=O)CO
InChi:	InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1
Definition date:	2004-07-09
Last modified:	2024-09-27
Identifier:	5-O-phosphono-D-ribulose

5S4

5S4
Name:	[(3~{R})-4-[[3-[2-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
Formula:	C16 H33 N4 O8 P
SMILES:	CC(C)[CH](N)C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:	InChI=1S/C16H33N4O8P/c1-10(2)12(17)14(23)20-8-7-18-11(21)5-6-19-15(24)13(22)16(3,4)9-28-29(25,26)27/h10,12-13,22H,5-9,17H2,1-4H3,(H,18,21)(H,19,24)(H,20,23)(H2,25,26,27)/t12-,13-/m0/s1
Definition date:	2015-11-19
Last modified:	2024-09-27
Release date:	2016-01-20
Identifier:	[(3~{R})-4-[[3-[2-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate

5SQ

5SQ
Name:	2-[2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C17 H17 N5 O4
SMILES:	N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O
InChi:	InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5-/t13-/m0/s1
Synonyms:	GREEN CHROMOPHORE (HIS-TYR-GLY)
Definition date:	2015-11-24
Last modified:	2024-09-27
Release date:	2016-08-03
Identifier:	2-[2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

5T3

5T3
Name:	N~6~-ethyl-N~6~-propan-2-yl-L-lysine
Formula:	C11 H24 N2 O2
SMILES:	NC(CCCCN(C(C)C)CC)C(=O)O
InChi:	InChI=1S/C11H24N2O2/c1-4-13(9(2)3)8-6-5-7-10(12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)/t10-/m0/s1
Definition date:	2019-12-19
Last modified:	2024-09-27
Release date:	2020-01-15
Identifier:	N~6~-ethyl-N~6~-propan-2-yl-L-lysine

5T9

5T9
Name:	(2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
Formula:	C25 H29 Cl2 N5 O5 S
SMILES:	COc1ccc(c(Cl)c1)[S](O)(O)[CH]2C[CH](N(C2)C(=O)C3(CNC3)c4ccc(Cl)cn4)C(=O)NC5(CC5)C=N
InChi:	InChI=1S/C25H29Cl2N5O5S/c1-37-16-3-4-20(18(27)8-16)38(35,36)17-9-19(22(33)31-24(12-28)6-7-24)32(11-17)23(34)25(13-29-14-25)21-5-2-15(26)10-30-21/h2-5,8,10,12,17,19,28-29,35-36H,6-7,9,11,13-14H2,1H3,(H,31,33)/b28-12-/t17-,19+/m1/s1
Definition date:	2015-11-27
Last modified:	2024-09-27
Release date:	2016-02-24
Identifier:	(2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide

5TI

5TI
Name:	5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
Formula:	C14 H12 N2 O4
SMILES:	COc1ccc(C=CC=C2C(=O)NC(=O)NC2=O)cc1
InChi:	InChI=1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-8H,1H3,(H2,15,16,17,18,19)
Definition date:	2021-08-24
Last modified:	2024-09-27
Release date:	2021-12-29
Identifier:	5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione

5UT

5UT
Name:	1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
Formula:	C22 H29 Cl N4 O3
SMILES:	CC1(CC1)c2cc(NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C)c(O)cc2Cl
InChi:	InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3
Definition date:	2015-12-03
Last modified:	2024-09-27
Release date:	2016-01-13
Identifier:	1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one

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226262

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