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SNI

SNI
Name:	9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE
Formula:	C10 H12 N4 O4 Se
SMILES:	[Se]=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)CO
InChi:	InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1
Synonyms:	SELENOINOSINE
Definition date:	2004-02-25
Last modified:	2021-03-01
Identifier:	9-beta-D-ribofuranosyl-1,9-dihydro-6H-purine-6-selone

SNP

SNP
Name:	1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL
Formula:	C16 H21 N O2
SMILES:	OC(CNC(C)C)COc2cccc1ccccc12
InChi:	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
Synonyms:	S-PROPRANOLOL
Definition date:	2000-01-26
Last modified:	2021-03-01
Identifier:	(2S)-1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol

SNY

SNY
Name:	(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
Formula:	C11 H12 O4
SMILES:	O=CC=Cc1cc(OC)c(O)c(OC)c1
InChi:	InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+
Synonyms:	Sinapaldehyde
Definition date:	2010-10-25
Last modified:	2021-03-01
Identifier:	(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal

SO1

SO1
Name:	[1R-(1.ALPHA.,3A.BETA.,4.BETA.,4A.BETA.,7.BETA.,7A.ALPHA.,8A.BETA.)]8A-[(6-DEOXY-4-O-METHYL-BETA-D-ALTROPYRANOSYLOXY)METHYL]-4-FORMYL-4,4A,5,6,7,7A,8,8A-OCTAHYDRO-7-METHYL-3-(1-METHYLETHYL)-1,4-METHANO-S-INDACENE-3A(1H)-CARBOXYLIC ACID
Formula:	C27 H42 O8
SMILES:	O=C(O)C53C4(COC1OC(C(OC)C(O)C1O)C)CC2C(C)CCC2C3(C=O)CC4CC5C(C)C
InChi:	InChI=1S/C27H42O8/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23/h11,13-23,29-30H,6-10,12H2,1-5H3,(H,31,32)/t14-,15-,16+,17-,18-,19?,20+,21+,22-,23-,25+,26+,27+/m1/s1
Synonyms:	SORDARIN
Definition date:	2003-01-20
Last modified:	2021-03-01
Identifier:	(1S,3R,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-4-O-methyl-beta-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(1-methylethyl)decahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid

SP7

SP7
Name:	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide
Formula:	C10 H23 N3 O
SMILES:	O=C(NC(CCNCCCCN)C)C
InChi:	InChI=1S/C10H23N3O/c1-9(13-10(2)14)5-8-12-7-4-3-6-11/h9,12H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
Synonyms:	S-N1-AcMeSpermidine
Definition date:	2008-03-31
Last modified:	2021-03-01
Identifier:	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide

SP8

SP8
Name:	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide
Formula:	C15 H25 N3 O
SMILES:	O=C(NC(C)CCNCCCCN)c1ccccc1
InChi:	InChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m0/s1
Synonyms:	S-Bz-MeSpermidine
Definition date:	2008-03-31
Last modified:	2021-03-01
Identifier:	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide

SP9

SP9
Name:	N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide
Formula:	C15 H25 N3 O
SMILES:	O=C(NC(C)CCNCCCCN)c1ccccc1
InChi:	InChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m1/s1
Synonyms:	R-Bz-MeSpermidine
Definition date:	2008-03-31
Last modified:	2021-03-01
Identifier:	N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide

2IW

2IW
Name:	4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide
Formula:	C26 H21 N3 O3
SMILES:	O=C(Nc2c1nccc(c1ccc2)C)c3ccc(cc3)N5C(=O)C6C4C=CC(C4)C6C5=O
InChi:	InChI=1S/C26H21N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-12,16-17,21-22H,13H2,1H3,(H,28,30)/t16-,17+,21-,22+
Synonyms:	IWR-2
Definition date:	2012-03-06
Last modified:	2021-03-01
Identifier:	4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide

SPP

SPP
Name:	(1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE
Formula:	C22 H28 N6 O3 S
SMILES:	O=C(c2cc1cc(NS(=O)(=O)C)ccc1n2)N4CCN(c3ncccc3NC(C)C)CC4
InChi:	InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
Synonyms:	Delavirdine
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide

SPW

SPW
Name:	N,N'-BIS(3-AMMONIOPROPYL)BUTANE-1,4-DIAMINIUM
Formula:	C10 H20 N4
SMILES:	[2H][N+]([2H])(CCC[N+]([2H])([2H])[2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H]
InChi:	InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4/i/hD10
Synonyms:	SPERMINE (FULLY DEUTERATED FORM)
Definition date:	2004-02-13
Last modified:	2021-03-01
Identifier:	N,N'-bis[3-(~2~H_3_)ammoniopropyl]butane-1,4-(~2~H_4_)diaminium

2L3

2L3
Name:	(2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
Formula:	C11 H10 O5 S
SMILES:	O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C
InChi:	InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m1/s1
Synonyms:	menadione bisulfite
Definition date:	2013-11-25
Last modified:	2021-03-01
Release date:	2014-02-19
Identifier:	(2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid

2L4

2L4
Name:	1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
Formula:	C11 H16 N4 O7
SMILES:	O=C1NC(NCC(O)C(O)C(O)CO)=C(N=CC=O)C(=O)N1
InChi:	InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1
Synonyms:	5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
Definition date:	2013-11-25
Last modified:	2021-03-01
Release date:	2014-04-16
Identifier:	1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol

2LB

2LB
Name:	(2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
Formula:	C11 H10 O5 S
SMILES:	O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C
InChi:	InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m0/s1
Synonyms:	menadione bisulfite
Definition date:	2013-11-26
Last modified:	2021-03-01
Release date:	2014-02-19
Identifier:	(2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid

2LJ

2LJ
Name:	1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
Formula:	C12 H20 N4 O6
SMILES:	C1(=O)NC(NC(=C1N=CCC)NCC(O)C(O)C(O)CO)=O
InChi:	InChI=1S/C12H20N4O6/c1-2-3-13-8-10(15-12(22)16-11(8)21)14-4-6(18)9(20)7(19)5-17/h3,6-7,9,17-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t6-,7+,9-/m0/s1
Synonyms:	5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
Definition date:	2013-11-27
Last modified:	2021-03-01
Release date:	2014-04-16
Identifier:	1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol

NUT

NUT
Name:	4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one
Formula:	C30 H30 Cl2 N4 O4
SMILES:	O=C5NCCN(C(=O)N3C(=NC(c1ccc(Cl)cc1)C3c2ccc(Cl)cc2)c4ccc(OC)cc4OC(C)C)C5
InChi:	InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
Synonyms:	Nutlin 3a
Definition date:	2012-10-12
Last modified:	2021-03-01
Release date:	2013-04-24
Identifier:	4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one

NUZ

NUZ
Name:	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
Formula:	C21 H19 Cl N4 O4
SMILES:	[O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2ccccc2)C)CC4
InChi:	InChI=1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3
Synonyms:	nucleozin
Definition date:	2014-12-16
Last modified:	2021-03-01
Release date:	2015-12-16
Identifier:	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

2M1

2M1
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide
Formula:	C28 H47 N3 O6 S
SMILES:	O=S(=O)(C)CCC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C28H47N3O6S/c1-19(2)15-23(13-14-38(7,35)36)29-26(32)24(16-20(3)4)30-27(33)25(17-21(5)6)31-28(34)37-18-22-11-9-8-10-12-22/h8-12,19-21,23-25H,13-18H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1
Synonyms:	PHQ-Leu-Leu-Leu-vinylsulfone
Definition date:	2013-12-02
Last modified:	2021-03-01
Release date:	2014-02-12
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide

NVE

NVE
Name:	diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate
Formula:	C27 H33 N4 O5 P
SMILES:	O=P(OCC)(OCC)COc1ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)CC
InChi:	InChI=1S/C27H33N4O5P/c1-5-31-25-23(27(32)30(4)24-9-8-16-28-26(24)31)17-21(18-29-25)11-10-20-12-14-22(15-13-20)34-19-37(33,35-6-2)36-7-3/h8-9,12-18H,5-7,10-11,19H2,1-4H3
Synonyms:	nevirapine phosphonate analogue
Definition date:	2012-12-03
Last modified:	2021-03-01
Release date:	2013-02-15
Identifier:	diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate

2NC

2NC
Name:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Formula:	C35 H68 N11 O8
SMILES:	O=C(NC(C(=O)NC(CCCC)CNC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=[NH2+])N)CCC(=O)N)CCCC)C(C)CC)C(NC(=O)C)C(O)C
InChi:	InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/p+1/t20-,21+,23-,24-,25-,26-,28-,29-/m0/s1
Synonyms:	p2/NC
Definition date:	2008-03-24
Last modified:	2021-03-01
Identifier:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide

2NV

2NV
Name:	3,6,9,12,15-pentaoxaoctadecan-17-amine
Formula:	C13 H29 N O5
SMILES:	NC(C)COCCOCCOCCOCCOCC
InChi:	InChI=1S/C13H29NO5/c1-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1
Synonyms:	Jeffamine ED-2001
Definition date:	2014-04-21
Last modified:	2021-03-01
Release date:	2014-04-30
Identifier:	(17R)-3,6,9,12,15-pentaoxaoctadecan-17-amine

NXK

NXK
Name:	2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid
Formula:	C16 H15 B F N O6
SMILES:	OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1
InChi:	InChI=1S/C16H15BFNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7,23-24H,8-9H2,(H,19,22)(H,20,21)
Synonyms:	2-[2-[[3-(dihydroxyboranyl)cyclohexyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid
Definition date:	2020-01-06
Last modified:	2021-03-01
Release date:	2021-01-27
Identifier:	2-[2-[[3-(dihydroxyboranyl)phenyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid

2OY

2OY
Name:	N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form)
Formula:	C14 H23 Cl N2 O3 S
SMILES:	O=S(=O)(NC(CCCCN)C(O)CCl)c1ccc(cc1)C
InChi:	InChI=1S/C14H23ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13-14,17-18H,2-4,9-10,16H2,1H3/t13-,14+/m0/s1
Synonyms:	Tosyllysine Chloromethyl Ketone (Bound Form)
Definition date:	2013-12-19
Last modified:	2021-03-01
Release date:	2014-04-23
Identifier:	N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide

2P0

2P0
Name:	1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline
Formula:	C7 H13 N O10 P2
SMILES:	O=C(N1C(C(=O)O)CCC1)COP(=O)(O)OP(=O)(O)O
InChi:	InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/t5-/m0/s1
Synonyms:	diphosphoglycolylproline
Definition date:	2011-02-24
Last modified:	2021-03-01
Identifier:	1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline

NZH

NZH
Name:	(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
Formula:	C7 H9 N7 O
SMILES:	O=CC(N)Cc2ncn(c1nnnn1)c2
InChi:	InChI=1S/C7H9N7O/c8-5(3-15)1-6-2-14(4-9-6)7-10-12-13-11-7/h2-5H,1,8H2,(H,10,11,12,13)/t5-/m0/s1
Synonyms:	TETRAZOLYL HISTIDINE
Definition date:	2004-12-28
Last modified:	2021-03-01
Identifier:	(2S)-2-amino-3-[1-(1H-tetrazol-5-yl)-1H-imidazol-4-yl]propanal

2R4

2R4
Name:	8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one
Formula:	C25 H19 N O3 S
SMILES:	O=C5c6cccc(c2cccc1c3c(sc12)cccc3)c6OC(N4CCOCC4)=C5
InChi:	InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
Synonyms:	NU7441
Definition date:	2014-01-10
Last modified:	2021-03-01
Release date:	2014-03-05
Identifier:	8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one

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