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3NK

3NK
Name:	1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE
Formula:	C15 H14 O3
SMILES:	COc1ccc2cc(ccc2c1)C(=O)CC(C)=O
InChi:	InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3
Definition date:	2011-09-23
Last modified:	2024-09-27
Release date:	2012-11-02
Identifier:	1-(6-methoxynaphthalen-2-yl)butane-1,3-dione

3NP

3NP
Name:	3-NITROPROPANOIC ACID
Formula:	C3 H5 N O4
SMILES:	[O-][N+](=O)CCC(=O)O
InChi:	InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
Definition date:	2005-02-09
Last modified:	2024-09-27
Identifier:	3-nitropropanoic acid

3NS

3NS
Name:	(3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid
Formula:	C21 H30 N4 O5
SMILES:	O=C(O)CC(NC(=O)C(C(C)C)CC(=O)NCCn1c2ccccc2nc1C)CO
InChi:	InChI=1S/C21H30N4O5/c1-13(2)16(21(30)24-15(12-26)10-20(28)29)11-19(27)22-8-9-25-14(3)23-17-6-4-5-7-18(17)25/h4-7,13,15-16,26H,8-12H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/m0/s1
Definition date:	2010-07-06
Last modified:	2024-09-27
Identifier:	(3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-4-oxo-2-(propan-2-yl)butanoyl]amino}butanoic acid

3OH

3OH
Name:	3-HYDROXY-PROPANOIC ACID
Formula:	C3 H6 O3
SMILES:	O=C(O)CCO
InChi:	InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-hydroxypropanoic acid

3P7

3P7
Name:	(2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3 -oxazine-4-carboxylic acid
Formula:	C18 H18 N2 O9
SMILES:	O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O
InChi:	InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17-,18+/m1/s1
Synonyms:	MOXALACTAM DERIVATIVE (open form)
Definition date:	2014-10-01
Last modified:	2024-09-27
Release date:	2014-10-15
Identifier:	(2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid

3PA

3PA
Name:	3-CYCLOPENTYL-PROPIONIC ACID
Formula:	C8 H14 O2
SMILES:	O=C(O)CCC1CCCC1
InChi:	InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
Definition date:	2000-08-08
Last modified:	2024-09-27
Identifier:	3-cyclopentylpropanoic acid

3PK

3PK
Name:	(2S)-1-(pentanoyloxy)propan-2-yl hexanoate
Formula:	C14 H26 O4
SMILES:	O=C(OC(C)COC(=O)CCCC)CCCCC
InChi:	InChI=1S/C14H26O4/c1-4-6-8-10-14(16)18-12(3)11-17-13(15)9-7-5-2/h12H,4-11H2,1-3H3/t12-/m0/s1
Definition date:	2010-11-08
Last modified:	2024-09-27
Release date:	2013-10-16
Identifier:	(2S)-1-(pentanoyloxy)propan-2-yl hexanoate

3PL

3PL
Name:	3-PHENYLPROPANAL
Formula:	C9 H10 O
SMILES:	O=CCCc1ccccc1
InChi:	InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
Definition date:	2005-01-14
Last modified:	2024-09-27
Identifier:	3-phenylpropanal

3PX

3PX
Name:	(3S)-3-(propan-2-yloxy)-L-proline
Formula:	C8 H15 N O3
SMILES:	O=C(O)C1NCCC1OC(C)C
InChi:	InChI=1S/C8H15NO3/c1-5(2)12-6-3-4-9-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
Definition date:	2011-04-26
Last modified:	2024-09-27
Identifier:	(3S)-3-(propan-2-yloxy)-L-proline

3PY

3PY
Name:	3-HYDROXYPYRUVIC ACID
Formula:	C3 H4 O4
SMILES:	O=C(O)C(=O)CO
InChi:	InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-hydroxy-2-oxopropanoic acid

3Q8

3Q8
Name:	3-[2-[[5-[[(3E,4S)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Formula:	C33 H40 N4 O6
SMILES:	CCC1=C(C)C(=NC1=O)Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)[CH](C)C4=CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,19,34-35H,8-15H2,1-6H3,(H,38,39)(H,40,41)/b20-7+/t19-/m0/s1
Definition date:	2014-10-03
Last modified:	2024-09-27
Release date:	2015-12-23
Identifier:	3-[2-[[5-[[(3E,4S)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

3QD

3QD
Name:	ethylboronic acid
Formula:	C2 H7 B O2
SMILES:	OB(O)CC
InChi:	InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3
Definition date:	2014-10-15
Last modified:	2024-09-27
Release date:	2014-11-12
Identifier:	ethylboronic acid

3QJ

3QJ
Name:	hexyl(trihydroxy)borate(1-)
Formula:	C6 H16 B O3
SMILES:	O[B-](O)(O)CCCCCC
InChi:	InChI=1S/C6H16BO3/c1-2-3-4-5-6-7(8,9)10/h8-10H,2-6H2,1H3/q-1
Definition date:	2014-10-17
Last modified:	2024-09-27
Release date:	2014-11-12
Identifier:	hexyl(trihydroxy)borate(1-)

3QK

3QK
Name:	trihydroxy(octyl)borate(1-)
Formula:	C8 H20 B O3
SMILES:	O[B-](O)(O)CCCCCCCC
InChi:	InChI=1S/C8H20BO3/c1-2-3-4-5-6-7-8-9(10,11)12/h10-12H,2-8H2,1H3/q-1
Definition date:	2014-10-17
Last modified:	2024-09-27
Release date:	2014-11-12
Identifier:	trihydroxy(octyl)borate(1-)

3QN

3QN
Name:	(E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine
Formula:	C15 H23 N2 O7 P
SMILES:	O=C(O)C(N)CCCC/N=C/c1c(ccc(c1O)C)COP(=O)(O)O
InChi:	InChI=1S/C15H23N2O7P/c1-10-5-6-11(9-24-25(21,22)23)12(14(10)18)8-17-7-3-2-4-13(16)15(19)20/h5-6,8,13,18H,2-4,7,9,16H2,1H3,(H,19,20)(H2,21,22,23)/b17-8+/t13-/m0/s1
Definition date:	2011-02-09
Last modified:	2024-09-27
Identifier:	(E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine

3R5

3R5
Name:	5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
Formula:	C14 H13 N O3
SMILES:	O=Cc2c(OCc1cccnc1)ccc(OC)c2
InChi:	InChI=1S/C14H13NO3/c1-17-13-4-5-14(12(7-13)9-16)18-10-11-3-2-6-15-8-11/h2-9H,10H2,1H3
Definition date:	2011-03-24
Last modified:	2024-09-27
Identifier:	5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde

3RD

3RD
Name:	4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid
Formula:	C15 H14 N3 O8 P
SMILES:	O=C(O)c2ccc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc2
InChi:	InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)/b18-17+
Synonyms:	FOBISIN101
Definition date:	2011-05-21
Last modified:	2024-09-27
Identifier:	4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid

3S2

3S2
Name:	[(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
Formula:	C11 H22 N4 O5 S
SMILES:	O=C(NCCCCNC)N1C(C=O)C(NS(=O)(=O)O)CC1
InChi:	InChI=1S/C11H22N4O5S/c1-12-5-2-3-6-13-11(17)15-7-4-9(10(15)8-16)14-21(18,19)20/h8-10,12,14H,2-7H2,1H3,(H,13,17)(H,18,19,20)/t9-,10-/m1/s1
Definition date:	2011-05-17
Last modified:	2024-09-27
Identifier:	[(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid

3TR

3TR
Name:	3-AMINO-1,2,4-TRIAZOLE
Formula:	C2 H4 N4
SMILES:	n1c(nnc1)N
InChi:	InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
Synonyms:	AMITROLE
Definition date:	2004-06-09
Last modified:	2024-09-27
Identifier:	1H-1,2,4-triazol-3-amine

3U0

3U0
Name:	2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid
Formula:	C10 H13 N3 O2
SMILES:	NC(=N)NCc1ccc(CC(O)=O)cc1
InChi:	InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-7(2-4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13)
Synonyms:	2-[4-[(diaminomethylideneamino)methyl]phenyl]acetic acid
Definition date:	2014-10-24
Last modified:	2024-09-27
Release date:	2022-10-19
Identifier:	2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid

3U2

3U2
Name:	N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide
Formula:	C14 H19 N O4
SMILES:	O=C(NC1C(C(O)C(O)C(O)C1)C)c2ccccc2
InChi:	InChI=1S/C14H19NO4/c1-8-10(7-11(16)13(18)12(8)17)15-14(19)9-5-3-2-4-6-9/h2-6,8,10-13,16-18H,7H2,1H3,(H,15,19)/t8-,10+,11-,12-,13+/m1/s1
Definition date:	2014-10-29
Last modified:	2024-09-27
Release date:	2014-11-12
Identifier:	N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide

3U3

3U3
Name:	N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide
Formula:	C9 H17 N O4
SMILES:	O=C(NC1C(C(O)C(O)C(O)C1)C)C
InChi:	InChI=1S/C9H17NO4/c1-4-6(10-5(2)11)3-7(12)9(14)8(4)13/h4,6-9,12-14H,3H2,1-2H3,(H,10,11)/t4-,6+,7-,8-,9+/m1/s1
Definition date:	2014-10-29
Last modified:	2024-09-27
Release date:	2014-11-05
Identifier:	N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide

3U7

3U7
Name:	4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
Formula:	C16 H16 Cl2 N2 O4
SMILES:	O=C(c1ccc(OCCCC(=O)O)c(Cl)c1Cl)CCc2nccn2
InChi:	InChI=1S/C16H16Cl2N2O4/c17-15-10(11(21)4-6-13-19-7-8-20-13)3-5-12(16(15)18)24-9-1-2-14(22)23/h3,5,7-8H,1-2,4,6,9H2,(H,19,20)(H,22,23)
Definition date:	2014-10-30
Last modified:	2024-09-27
Release date:	2015-05-20
Identifier:	4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid

3U8

3U8
Name:	4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
Formula:	C16 H17 Cl N2 O4
SMILES:	O=C(c1ccc(OCCCC(=O)O)c(Cl)c1)CCc2nccn2
InChi:	InChI=1S/C16H17ClN2O4/c17-12-10-11(13(20)4-6-15-18-7-8-19-15)3-5-14(12)23-9-1-2-16(21)22/h3,5,7-8,10H,1-2,4,6,9H2,(H,18,19)(H,21,22)
Definition date:	2014-10-30
Last modified:	2024-09-27
Release date:	2015-05-20
Identifier:	4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid

3UB

3UB
Name:	propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
Formula:	C13 H20 N O5 P
SMILES:	O=P(OC(C)C)(O)C(NC(=O)OCc1ccccc1)C
InChi:	InChI=1S/C13H20NO5P/c1-10(2)19-20(16,17)11(3)14-13(15)18-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)(H,16,17)/t11-/m1/s1
Definition date:	2011-10-31
Last modified:	2024-09-27
Identifier:	propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate

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