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XFW

XFW
Name:	(2S)-2,5,5-tris(azanyl)pentanoic acid
Formula:	C5 H13 N3 O2
SMILES:	O=C(O)C(N)CCC(N)N
InChi:	InChI=1S/C5H13N3O2/c6-3(5(9)10)1-2-4(7)8/h3-4H,1-2,6-8H2,(H,9,10)/t3-/m0/s1
Definition date:	2013-05-03
Last modified:	2023-11-03
Release date:	2014-09-17
Identifier:	5-amino-L-ornithine

URL

URL
Name:	[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid
Formula:	C7 H16 N2 O2
SMILES:	CC(C)C[CH](N)CNC(O)=O
InChi:	InChI=1S/C7H16N2O2/c1-5(2)3-6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
Definition date:	2018-08-22
Last modified:	2023-11-03
Release date:	2021-02-17
Identifier:	[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid

VM9

VM9
Name:	(6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
Formula:	C29 H31 Cl F5 N7 O
SMILES:	FC1CC2(CCCN2C1)COc1nc2c(F)c(c3nc(N)cc(C)c3C(F)(F)F)c(Cl)cc2c(n1)N1CC2CCC(N2)C1
InChi:	InChI=1S/C29H31ClF5N7O/c1-14-7-20(36)38-25(22(14)29(33,34)35)21-19(30)8-18-24(23(21)32)39-27(40-26(18)41-11-16-3-4-17(12-41)37-16)43-13-28-5-2-6-42(28)10-15(31)9-28/h7-8,15-17,37H,2-6,9-13H2,1H3,(H2,36,38)/t15-,16-,17+,28+/m1/s1
Definition date:	2023-09-13
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine

XXY

XXY
Name:	2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate
Formula:	C12 H16 N5 O4
SMILES:	[O-]c1c(nc(n1CC(=O)O)C(N)C(O)C)Cc2cncn2
InChi:	InChI=1S/C12H17N5O4/c1-6(18)10(13)11-16-8(2-7-3-14-5-15-7)12(21)17(11)4-9(19)20/h3,5-6,10,18,21H,2,4,13H2,1H3,(H,14,15)(H,19,20)/p-1/t6-,10+/m1/s1
Synonyms:	CHROMOPHORE THR-HIS-GLY
Definition date:	2006-02-10
Last modified:	2023-11-03
Identifier:	2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate

ZYJ

ZYJ
Name:	(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
Formula:	C14 H18 N2 O5
SMILES:	O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2
InChi:	InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1
Definition date:	2010-10-22
Last modified:	2023-11-03
Identifier:	(4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline

ZYK

ZYK
Name:	(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline
Formula:	C14 H18 N2 O6
SMILES:	O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2
InChi:	InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1
Synonyms:	3,4-dimethoxybenzamidoxy proline
Definition date:	2010-10-22
Last modified:	2023-11-03
Identifier:	(4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline

VME

VME
Name:	METHYL L-VALINATE
Formula:	C6 H13 N O2
SMILES:	O=C(OC)C(N)C(C)C
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1
Synonyms:	O-METHYLVALINE
Definition date:	2006-11-11
Last modified:	2023-11-03
Identifier:	methyl L-valinate

XY1

XY1
Name:	4-[(E)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid
Formula:	C15 H15 N3 O3
SMILES:	O=C(O)c2ccc(/N=N/c1cc(ccc1O)CCN)cc2
InChi:	InChI=1S/C15H15N3O3/c16-8-7-10-1-6-14(19)13(9-10)18-17-12-4-2-11(3-5-12)15(20)21/h1-6,9,19H,7-8,16H2,(H,20,21)/b18-17+
Synonyms:	4-[5-(2-Aminoethyl)-2-hydroxyphenylazo]-benzoic acid
Definition date:	2013-03-12
Last modified:	2023-11-03
Release date:	2014-03-26
Identifier:	4-{(E)-[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl}benzoic acid

URV

URV
Name:	[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
Formula:	C6 H14 N2 O2
SMILES:	CC(C)[CH](N)CNC(O)=O
InChi:	InChI=1S/C6H14N2O2/c1-4(2)5(7)3-8-6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m1/s1
Definition date:	2019-10-12
Last modified:	2023-11-03
Release date:	2021-02-17
Identifier:	[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid

KMF

KMF
Name:	N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
Formula:	C19 H23 N3 O2
SMILES:	CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc32)CC1
InChi:	InChI=1S/C19H23N3O2/c1-15(23)22-13-11-21(12-14-22)10-9-20-19(24)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3,(H,20,24)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide

XYC

XYC
Name:	(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid
Formula:	C8 H15 N O2
SMILES:	N[CH](CC1CCCC1)C(O)=O
InChi:	InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
Definition date:	2016-06-10
Last modified:	2023-11-03
Release date:	2017-05-31
Identifier:	(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid

XYG

XYG
Name:	[(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C14 H13 N3 O4
SMILES:	O=C1C(N=C(C(=[N@H])C)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H13N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,15,18H,7H2,1H3,(H,19,20)/b11-6-,15-8+
Synonyms:	CHROMOPHORE (DECARBOXYLATED ASP-TYR-GLY)
Definition date:	2006-11-16
Last modified:	2023-11-03
Identifier:	{(4Z)-2-[(1E)-ethanimidoyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

ZHW

ZHW
Name:	(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
Formula:	C9 H10 F N O3 S
SMILES:	FS(=O)(=O)Oc1cccc2c1CCC2N
InChi:	InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1
Definition date:	2023-03-10
Last modified:	2023-11-03
Release date:	2023-07-05
Identifier:	(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate

USC

USC
Name:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
Formula:	C9 H9 N O6 S
SMILES:	O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C
InChi:	InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)
Definition date:	2011-12-08
Last modified:	2023-11-03
Release date:	2013-01-11
Identifier:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid

KMX

KMX
Name:	1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C17 H21 N3 O S
SMILES:	CC(=O)N1CCN(CC1)Cc1cnc(Cc2ccccc2)s1
InChi:	InChI=1S/C17H21N3OS/c1-14(21)20-9-7-19(8-10-20)13-16-12-18-17(22-16)11-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one

XYX

XYX
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide
Formula:	C24 H23 B N O5
SMILES:	CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1
Definition date:	2023-06-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide

0QE

0QE
Name:	chloromethane
Formula:	C H3 Cl
SMILES:	ClC
InChi:	InChI=1S/CH3Cl/c1-2/h1H3
Synonyms:	Chloro Methyl group
Definition date:	2008-12-08
Last modified:	2023-11-03
Identifier:	chloromethane

V7T

V7T
Name:	(2R)-6-azanyl-2-carbamimidamido-hexanoic acid
Formula:	C7 H16 N4 O2
SMILES:	NCCCC[CH](NC(N)=N)C(O)=O
InChi:	InChI=1S/C7H16N4O2/c8-4-2-1-3-5(6(12)13)11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1
Definition date:	2021-04-23
Last modified:	2023-11-03
Release date:	2022-04-06
Identifier:	(2~{R})-6-azanyl-2-carbamimidamido-hexanoic acid

ZIQ

ZIQ
Name:	alpha-methyl-L-tryptophan
Formula:	C12 H14 N2 O2
SMILES:	NC(C(O)=O)(Cc1cnc2c1cccc2)C
InChi:	InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
Definition date:	2018-06-13
Last modified:	2023-11-03
Release date:	2020-01-01
Identifier:	alpha-methyl-L-tryptophan

XZA

XZA
Name:	diazanecarboxylic acid
Formula:	C H4 N2 O2
SMILES:	NNC(O)=O
InChi:	InChI=1S/CH4N2O2/c2-3-1(4)5/h3H,2H2,(H,4,5)
Definition date:	2016-06-03
Last modified:	2023-11-03
Release date:	2017-06-28
Identifier:	diazanecarboxylic acid

XZC

XZC
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide
Formula:	C23 H23 B N O5
SMILES:	COc1cccc(c1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C23H23BNO5/c1-29-21-10-4-7-18(14-21)17-6-3-9-20(13-17)25-22(26)12-11-16-5-2-8-19-15-30-24(27,28)23(16)19/h2-10,13-14,27-28H,11-12,15H2,1H3,(H,25,26)/q-1
Definition date:	2023-06-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide

ZZU

ZZU
Name:	(2S,3S)-3-HYDROXYARGININE
Formula:	C6 H14 N4 O3
SMILES:	O=C(O)C(N)C(O)CCNC(=[N@H])N
InChi:	InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1
Definition date:	2009-03-02
Last modified:	2023-11-03
Identifier:	(2S,3S)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name)

KNU

KNU
Name:	N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
Formula:	C10 H11 Cl F N O
SMILES:	Fc1cc(cc(Cl)c1)C(C)NC(C)=O
InChi:	InChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide

0QZ

0QZ
Name:	D-Isoserine
Formula:	C3 H7 N O3
SMILES:	O=C(O)C(O)CN
InChi:	InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
Synonyms:	(2R)-3-amino-2-hydroxypropanoic acid
Definition date:	2012-08-23
Last modified:	2023-11-03
Release date:	2014-05-07
Identifier:	(2R)-3-amino-2-hydroxypropanoic acid

VNW

VNW
Name:	8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
Formula:	C11 H10 N2 O2 Se
SMILES:	C[Se]c1cc(nc2c(N)cccc12)C(O)=O
InChi:	InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15)
Definition date:	2023-09-14
Last modified:	2023-11-03
Release date:	2023-10-11
Identifier:	8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid

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