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NBQ

NBQ
Name:	2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
Formula:	C23 H22 N2 O6
SMILES:	O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3
InChi:	InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1
Definition date:	2004-03-08
Last modified:	2024-09-27
Identifier:	2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

NBU

NBU
Name:	N-BUTANE
Formula:	C4 H10
SMILES:	CCCC
InChi:	InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
Definition date:	1999-10-10
Last modified:	2024-09-27
Identifier:	butane

3E5

3E5
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide
Formula:	C35 H52 N4 O6
SMILES:	O=C(Nc1ccc(cc1C)C)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C35H52N4O6/c1-21(2)16-28(31(40)34(43)36-27-15-14-24(7)19-25(27)8)37-32(41)29(17-22(3)4)38-33(42)30(18-23(5)6)39-35(44)45-20-26-12-10-9-11-13-26/h9-15,19,21-23,28-31,40H,16-18,20H2,1-8H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t28-,29-,30-,31-/m0/s1
Definition date:	2014-08-05
Last modified:	2024-09-27
Release date:	2014-08-13
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide

NC1

NC1
Name:	NITROCEFIN ACYL-SERINE
Formula:	C24 H21 N5 O11 S2
SMILES:	[O-]C(=O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C([O-])=O)C=Cc3ccc([N+]([O-])=O)cc3[N+]([O-])=O
InChi:	InChI=1S/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/p-2/b4-3+/t16-,20-,21+/m0/s1
Definition date:	2002-10-08
Last modified:	2024-09-27
Identifier:	(2R)-2-{(1R)-2-[(2S)-2-amino-2-carboxylatoethoxy]-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate

NCB

NCB
Name:	N-CARBAMOYL-ALANINE
Formula:	C4 H8 N2 O3
SMILES:	O=C(O)C(NC(=O)N)C
InChi:	InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m1/s1
Definition date:	1999-10-10
Last modified:	2024-09-27
Identifier:	N-carbamoyl-D-alanine

NCF

NCF
Name:	(2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID
Formula:	C13 H14 N2 O5 S2
SMILES:	S1CCC(C(O)=O)=NC1C(C=O)NC(=O)Cc2cccs2
InChi:	InChI=1S/C13H14N2O5S2/c16-9(6-7-2-1-4-21-7)15-10(13(19)20)11-14-8(12(17)18)3-5-22-11/h1-2,4,10-11H,3,5-6H2,(H,15,16)(H,17,18)(H,19,20)/t10-,11+/m0/s1
Synonyms:	NITROCEFIN, open form without dinitrophenyl-ethenyl group
Definition date:	2004-10-01
Last modified:	2024-09-27
Identifier:	(2R)-2-[(1R)-2-oxo-1-{[(thiophen-2-yl)acetyl]amino}ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

7E4

7E4
Name:	11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid
Formula:	C33 H34 N4 O2
SMILES:	OC(=O)CCCCCCCCC#Cc1ccc2C[CH](Cc2c1)Nc3nc(nc4ccccc34)c5cccnc5
InChi:	InChI=1S/C33H34N4O2/c38-31(39)16-8-6-4-2-1-3-5-7-12-24-17-18-25-21-28(22-27(25)20-24)35-33-29-14-9-10-15-30(29)36-32(37-33)26-13-11-19-34-23-26/h9-11,13-15,17-20,23,28H,1-6,8,16,21-22H2,(H,38,39)(H,35,36,37)/t28-/m0/s1
Definition date:	2016-10-13
Last modified:	2024-09-27
Release date:	2017-10-25
Identifier:	11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid

NCY

NCY
Name:	N-METHYLCYSTEINE
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)C(NC)CS
InChi:	InChI=1S/C4H9NO2S/c1-5-3(2-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-methyl-L-cysteine

7EP

7EP
Name:	(2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C17 H22 N2 O6 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC
InChi:	InChI=1S/C17H22N2O6S/c1-17(2)13(16(22)23)19-15(26-17)9(8-20)18-14(21)12-10(24-3)6-5-7-11(12)25-4/h5-9,13,15,19H,1-4H3,(H,18,21)(H,22,23)/t9-,13+,15-/m1/s1
Synonyms:	methicillin, bound form
Definition date:	2010-06-28
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-{(1R)-1-[(2,6-dimethoxybenzoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

ND1

ND1
Name:	(2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide
Formula:	C30 H29 F4 N5 O2
SMILES:	c1cc(cnc1OCCNC[C@H]=[C@H]C(N(C)C)=O)C(=C(/c2ccccc2)CC(F)(F)F)c4cc3c(F)nnc3cc4
InChi:	InChI=1S/C30H29F4N5O2/c1-39(2)27(40)9-6-14-35-15-16-41-26-13-11-22(19-36-26)28(21-10-12-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-7-4-3-5-8-20/h3-13,17,19,35H,14-16,18H2,1-2H3,(H,37,38)/b9-6?,28-24-
Definition date:	2019-05-10
Last modified:	2024-09-27
Release date:	2019-06-19
Identifier:	(2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide

ND7

ND7
Name:	5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine
Formula:	C10 H15 N6 O6 P
SMILES:	OP(OCC3C(C(O)C(n1cnc2c1ncnc2N)O3)O)(=O)N
InChi:	InChI=1S/C10H15N6O6P/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	2019-05-10
Last modified:	2024-09-27
Release date:	2019-05-22
Identifier:	5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine

7EZ

7EZ
Name:	(4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid
Formula:	C22 H34 O4
SMILES:	CC[C@H]=[C@H]CC(O)C(O)C[C@H]=CC/C=CC/C=CC/C=CCCC(=O)O
InChi:	InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,11-15,20-21,23-24H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5-,8-6-,13-11-,14-3-,15-12-/t20-,21-/m1/s1
Definition date:	2016-10-17
Last modified:	2024-09-27
Release date:	2017-10-18
Identifier:	(4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid

ND9

ND9
Name:	N-[[1-(4-azanyl-1-phenoxy-cyclohexyl)carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
Formula:	C21 H30 Cl N3 O3
SMILES:	N[CH]1CC[C](CC1)(Oc2ccccc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl
InChi:	InChI=1S/C21H30ClN3O3/c22-14-19(26)24-15-16-8-12-25(13-9-16)20(27)21(10-6-17(23)7-11-21)28-18-4-2-1-3-5-18/h1-5,16-17H,6-15,23H2,(H,24,26)/t17-,21-
Definition date:	2022-08-17
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	~{N}-[[1-(4-azanyl-1-phenoxy-cyclohexyl)carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide

7F1

7F1
Name:	(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide
Formula:	C36 H46 N6 O6 S
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)CN3CCOCC3)C(=O)N[CH](Cc4c[nH]c5ccccc45)C=C[S](C)(=O)=O
InChi:	InChI=1S/C36H46N6O6S/c1-24(2)18-32(35(44)39-27(12-17-49(3,46)47)19-25-21-37-30-10-6-4-8-28(25)30)41-36(45)33(40-34(43)23-42-13-15-48-16-14-42)20-26-22-38-31-11-7-5-9-29(26)31/h4-12,17,21-22,24,27,32-33,37-38H,13-16,18-20,23H2,1-3H3,(H,39,44)(H,40,43)(H,41,45)/t27-,32+,33+/m1/s1
Definition date:	2015-11-04
Last modified:	2024-09-27
Release date:	2016-03-02
Identifier:	(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide

7F2

7F2
Name:	(2R)-octane-1,2-diol
Formula:	C8 H18 O2
SMILES:	CCCCCCC(CO)O
InChi:	InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m1/s1
Definition date:	2016-10-17
Last modified:	2024-09-27
Release date:	2017-10-11
Identifier:	(2R)-octane-1,2-diol

NDD

NDD
Name:	2,6-DICARBOXYNAPHTHALENE
Formula:	C12 H8 O4
SMILES:	O=C(O)c1ccc2c(c1)ccc(C(=O)O)c2
InChi:	InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	naphthalene-2,6-dicarboxylic acid

7F6

7F6
Name:	(1R,2R)-1,2-diphenylethane-1,2-diol
Formula:	C14 H14 O2
SMILES:	C(C(c1ccccc1)O)(O)c2ccccc2
InChi:	InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
Synonyms:	cis-stilbene epoxide, bound form
Definition date:	2016-10-17
Last modified:	2024-09-27
Release date:	2017-10-11
Identifier:	(1R,2R)-1,2-diphenylethane-1,2-diol

7F7

7F7
Name:	[6-methyl-5-oxidanyl-4-[(~{E})-[(3~{R})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C14 H20 N3 O6 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=N[CH]2CCCCNC2=O)c1O
InChi:	InChI=1S/C14H20N3O6P/c1-9-13(18)11(10(6-16-9)8-23-24(20,21)22)7-17-12-4-2-3-5-15-14(12)19/h6-7,12,18H,2-5,8H2,1H3,(H,15,19)(H2,20,21,22)/b17-7+/t12-/m1/s1
Definition date:	2016-10-18
Last modified:	2024-09-27
Release date:	2017-04-19
Identifier:	[6-methyl-5-oxidanyl-4-[(~{E})-[(3~{R})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate

NDG

NDG
Name:	2-acetamido-2-deoxy-alpha-D-glucopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1
Synonyms:	N-acetyl-alpha-D-glucosamine
Definition date:	2002-07-02
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-2-deoxy-alpha-D-glucopyranose

7FA

7FA
Name:	methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
Formula:	C19 H34 F O2 P
SMILES:	C(CCCCC=C/CC=C/CC=C/CCCCC)P(F)(OC)=O
InChi:	InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7?,11-10-,14-13-/t23-/m1/s1
Definition date:	2011-09-14
Last modified:	2024-09-27
Identifier:	methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate

7FB

7FB
Name:	(2R)-hexane-1,2-diol
Formula:	C6 H14 O2
SMILES:	OCC(CCCC)O
InChi:	InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3/t6-/m1/s1
Definition date:	2016-10-18
Last modified:	2024-09-27
Release date:	2016-11-02
Identifier:	(2R)-hexane-1,2-diol

NDP

NDP
Name:	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Formula:	C21 H30 N7 O17 P3
SMILES:	NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate

NDU

NDU
Name:	2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE
Formula:	C9 H14 N3 O10 P
SMILES:	[O-][N+](=O)C1C(=O)NC(=O)N(C1)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H14N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h4-7,13H,1-3H2,(H,10,14,15)(H2,18,19,20)/t4-,5+,6-,7-/m1/s1
Definition date:	2007-10-27
Last modified:	2024-09-27
Identifier:	2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)

NE9

NE9
Name:	2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide
Formula:	C22 H29 Cl2 N3 O3
SMILES:	ClCC(=O)NC1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1
InChi:	InChI=1S/C22H29Cl2N3O3/c23-15-19(28)25-18-13-21(14-18)5-9-27(10-6-21)20(29)22(7-11-30-12-8-22)26-17-3-1-16(24)2-4-17/h1-4,18,26H,5-15H2,(H,25,28)
Definition date:	2022-08-17
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide

NEF

NEF
Name:	Nitrocefin - open form
Formula:	C21 H18 N4 O9 S2
SMILES:	OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(O)=O
InChi:	InChI=1S/C21H18N4O9S2/c26-16(9-14-2-1-7-35-14)22-18(21(29)30)19-23-17(20(27)28)12(10-36-19)4-3-11-5-6-13(24(31)32)8-15(11)25(33)34/h1-8,18-19,23H,9-10H2,(H,22,26)(H,27,28)(H,29,30)/b4-3+/t18-,19+/m0/s1
Synonyms:	(2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Definition date:	2018-09-26
Last modified:	2024-09-27
Release date:	2019-10-23
Identifier:	(2~{R})-5-[(~{E})-2-(2,4-dinitrophenyl)ethenyl]-2-[(1~{R})-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

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