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2P8

2P8
Name:	(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
Formula:	C19 H27 N3 O4
SMILES:	O=C(N1C(C(O)CO)CCC1)C3N(C(=O)NCc2ccccc2)CCC3
InChi:	InChI=1S/C19H27N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-17,23-24H,4-5,8-13H2,(H,20,26)/t15-,16-,17-/m0/s1
Definition date:	2012-03-15
Last modified:	2024-09-27
Identifier:	(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide

2PB

2PB
Name:	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE
Formula:	C7 H5 O5 P
SMILES:	O=P([O-])Oc1ccccc1C([O-])=O
InChi:	InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4,13H,(H,8,9)(H,10,11)/p-2
Definition date:	2004-03-26
Last modified:	2024-09-27
Identifier:	2-[(dioxidophosphanyl)oxy]benzoate

N29

N29
Name:	~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide
Formula:	C7 H10 N2 O2
SMILES:	CCC(=O)Nc1cc(C)on1
InChi:	InChI=1S/C7H10N2O2/c1-3-7(10)8-6-4-5(2)11-9-6/h4H,3H2,1-2H3,(H,8,9,10)
Definition date:	2022-08-11
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide

N2C

N2C
Name:	N,S-DIMETHYLCYSTEINE
Formula:	C5 H11 N O2 S
SMILES:	O=C(O)C(NC)CSC
InChi:	InChI=1S/C5H11NO2S/c1-6-4(3-9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
Definition date:	2004-11-02
Last modified:	2024-09-27
Identifier:	N,S-dimethyl-L-cysteine

2PP

2PP
Name:	2-PROPYL-PENTANOIC ACID
Formula:	C8 H16 O2
SMILES:	O=C(O)C(CCC)CCC
InChi:	InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-propylpentanoic acid

N2F

N2F
Name:	2-[(4-methylphenyl)sulfonyl]-5-nitrofuran
Formula:	C11 H9 N O5 S
SMILES:	O=[N+]([O-])c1oc(cc1)S(=O)(=O)c2ccc(cc2)C
InChi:	InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3
Synonyms:	NSC697923
Definition date:	2014-02-07
Last modified:	2024-09-27
Release date:	2015-05-06
Identifier:	2-[(4-methylphenyl)sulfonyl]-5-nitrofuran

N2H

N2H
Name:	(4-azanylbutylamino)methanediol
Formula:	C5 H14 N2 O2
SMILES:	NCCCCNC(O)O
InChi:	InChI=1S/C5H14N2O2/c6-3-1-2-4-7-5(8)9/h5,7-9H,1-4,6H2
Synonyms:	N-(dihydroxymethyl)putrescine
Definition date:	2015-12-31
Last modified:	2024-09-27
Release date:	2016-04-20
Identifier:	(4-azanylbutylamino)methanediol

N2P

N2P
Name:	PENTANE-1,5-DIAMINE
Formula:	C5 H14 N2
SMILES:	NCCCCCN
InChi:	InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
Definition date:	2002-05-23
Last modified:	2024-09-27
Identifier:	pentane-1,5-diamine

N2Q

N2Q
Name:	(5P)-5-(5-methylfuran-2-yl)-1H-pyrazole
Formula:	C8 H8 N2 O
SMILES:	Cc1ccc(o1)c1[NH]ncc1
InChi:	InChI=1S/C8H8N2O/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3,(H,9,10)
Definition date:	2022-03-23
Last modified:	2024-09-27
Release date:	2022-03-30
Identifier:	(5P)-5-(5-methylfuran-2-yl)-1H-pyrazole

2Q7

2Q7
Name:	N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
Formula:	C27 H35 F2 N11 O4
SMILES:	C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1
InChi:	InChI=1S/C27H35F2N11O4/c1-2-19(41)37-5-3-17(4-6-37)24(43)31-16-20(42)38-7-9-39(10-8-38)26-34-23(18-15-32-25(30)33-21(18)22(28)29)35-27(36-26)40-11-13-44-14-12-40/h2,15,17,22H,1,3-14,16H2,(H,31,43)(H2,30,32,33)
Definition date:	2021-06-30
Last modified:	2024-09-27
Release date:	2022-04-06
Identifier:	N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide

N2X

N2X
Name:	(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:	C17 H16 Br N O3
SMILES:	CCOc1ccccc1CN1c2ccc(Br)cc2C(O)C1=O
InChi:	InChI=1S/C17H16BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9,16,20H,2,10H2,1H3/t16-/m0/s1
Definition date:	2023-08-16
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one

N38

N38
Name:	3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide
Formula:	C26 H41 N3 O7 S
SMILES:	COc3ccc(OCCCS(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O)cc3
InChi:	InChI=1S/C26H41N3O7S/c1-35-22-8-10-23(11-9-22)36-14-5-15-37(33,34)29-24(16-19-6-3-2-4-7-19)26(32)28-21(18-30)17-20-12-13-27-25(20)31/h8-11,19-21,24,29-30H,2-7,12-18H2,1H3,(H,27,31)(H,28,32)/t20-,21-,24-/m0/s1
Synonyms:	3-cyclohexyl-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alan inamide (bound form)
Definition date:	2016-09-12
Last modified:	2024-09-27
Release date:	2016-11-23
Identifier:	3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-alaninamide

N3O

N3O
Name:	~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide
Formula:	C10 H11 N3 O2
SMILES:	CCC(=O)Nc1cnc2onc(C)c2c1
InChi:	InChI=1S/C10H11N3O2/c1-3-9(14)12-7-4-8-6(2)13-15-10(8)11-5-7/h4-5H,3H2,1-2H3,(H,12,14)
Definition date:	2022-08-11
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide

2QY

2QY
Name:	(2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid
Formula:	C10 H11 N O3
SMILES:	O=C(O)/C(=C/c1ccc(O)cc1)NC
InChi:	InChI=1S/C10H11NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-6,11-12H,1H3,(H,13,14)/b9-6-
Definition date:	2014-01-09
Last modified:	2024-09-27
Release date:	2014-04-02
Identifier:	(2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid

2QZ

2QZ
Name:	N,N-dimethyl-L-threonine
Formula:	C6 H13 N O3
SMILES:	O=C(O)C(N(C)C)C(O)C
InChi:	InChI=1S/C6H13NO3/c1-4(8)5(6(9)10)7(2)3/h4-5,8H,1-3H3,(H,9,10)/t4-,5+/m1/s1
Definition date:	2014-01-10
Last modified:	2024-09-27
Release date:	2014-04-02
Identifier:	N,N-dimethyl-L-threonine

2R1

2R1
Name:	(2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid
Formula:	C6 H9 N O4
SMILES:	O=C(O)/C(N)=C(/CO)C1OC1
InChi:	InChI=1S/C6H9NO4/c7-5(6(9)10)3(1-8)4-2-11-4/h4,8H,1-2,7H2,(H,9,10)/b5-3+/t4-/m0/s1
Definition date:	2014-01-10
Last modified:	2024-09-27
Release date:	2014-04-02
Identifier:	(2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid

2R3

2R3
Name:	(betaR)-beta-hydroxy-O-methyl-L-tyrosine
Formula:	C10 H13 N O4
SMILES:	O=C(O)C(N)C(O)c1ccc(OC)cc1
InChi:	InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1
Definition date:	2014-01-10
Last modified:	2024-09-27
Release date:	2014-04-02
Identifier:	(betaR)-beta-hydroxy-O-methyl-L-tyrosine

N3X

N3X
Name:	~{N}-[(1-methylindazol-6-yl)methyl]propanamide
Formula:	C12 H15 N3 O
SMILES:	CCC(=O)NCc1ccc2cnn(C)c2c1
InChi:	InChI=1S/C12H15N3O/c1-3-12(16)13-7-9-4-5-10-8-14-15(2)11(10)6-9/h4-6,8H,3,7H2,1-2H3,(H,13,16)
Definition date:	2022-08-11
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	~{N}-[(1-methylindazol-6-yl)methyl]propanamide

N40

N40
Name:	3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide
Formula:	C24 H45 N3 O5 S
SMILES:	C(CCCCCCC)S(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O
InChi:	InChI=1S/C24H45N3O5S/c1-2-3-4-5-6-10-15-33(31,32)27-22(16-19-11-8-7-9-12-19)24(30)26-21(18-28)17-20-13-14-25-23(20)29/h19-22,27-28H,2-18H2,1H3,(H,25,29)(H,26,30)/t20-,21-,22-/m0/s1
Synonyms:	3-cyclohexyl-N~2~-(octylsulfonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide (bound form)
Definition date:	2016-09-12
Last modified:	2024-09-27
Release date:	2016-11-23
Identifier:	3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide

N42

N42
Name:	N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide
Formula:	C38 H41 N5 O5
SMILES:	C=[C@H]C(=O)Nc2c(C(=O)N1CCOCC1)ccc(c2)NC3=CC(=CN(C3=O)C)c4cccc(c4C)NC(=O)c5ccc(cc5)C(C)(C)C
InChi:	InChI=1S/C38H41N5O5/c1-7-34(44)40-32-22-28(15-16-30(32)36(46)43-17-19-48-20-18-43)39-33-21-26(23-42(6)37(33)47)29-9-8-10-31(24(29)2)41-35(45)25-11-13-27(14-12-25)38(3,4)5/h7-16,21-23,39H,1,17-20H2,2-6H3,(H,40,44)(H,41,45)
Definition date:	2016-04-20
Last modified:	2024-09-27
Release date:	2017-04-19
Identifier:	N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide

2RA

2RA
Name:	3-amino-D-alanine
Formula:	C3 H8 N2 O2
SMILES:	O=C(O)C(N)CN
InChi:	InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m1/s1
Synonyms:	diaminopropanoic acid
Definition date:	2010-09-27
Last modified:	2024-09-27
Identifier:	3-amino-D-alanine

2RG

2RG
Name:	(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Formula:	C22 H27 N3 O7 S
SMILES:	O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2C(=NC(C2C)C(C=O)C(O)C)C(=O)O)C3
InChi:	InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-,19+/m1/s1
Synonyms:	ERTAPENEM, bound form POST-ISOMERIZED
Definition date:	2010-04-07
Last modified:	2024-09-27
Identifier:	(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

2RI

2RI
Name:	(2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide
Formula:	C30 H26 F N3 O4
SMILES:	C[CH](O)C(=O)N([CH](C(=O)N[CH](C)c1ccc(F)cc1)c2cccnc2)c3ccc4c(oc5ccccc45)c3
InChi:	InChI=1S/C30H26FN3O4/c1-18(20-9-11-22(31)12-10-20)33-29(36)28(21-6-5-15-32-17-21)34(30(37)19(2)35)23-13-14-25-24-7-3-4-8-26(24)38-27(25)16-23/h3-19,28,35H,1-2H3,(H,33,36)/t18-,19+,28+/m0/s1
Definition date:	2021-07-09
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	(2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide

N4F

N4F
Name:	1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one
Formula:	C9 H12 N2 O S
SMILES:	CCC(=O)N1CCc2ncsc2C1
InChi:	InChI=1S/C9H12N2OS/c1-2-9(12)11-4-3-7-8(5-11)13-6-10-7/h6H,2-5H2,1H3
Definition date:	2022-08-11
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one

2RX

2RX
Name:	O-thiophosphono-L-serine
Formula:	C3 H8 N O5 P S
SMILES:	O=P(OCC(C(=O)O)N)(O)S
InChi:	InChI=1S/C3H8NO5PS/c4-2(3(5)6)1-9-10(7,8)11/h2H,1,4H2,(H,5,6)(H2,7,8,11)/t2-/m0/s1
Definition date:	2014-01-14
Last modified:	2024-09-27
Release date:	2014-05-28
Identifier:	O-thiophosphono-L-serine

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