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QGO

QGO
Name:	(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C23 H22 Cl N3 O3
SMILES:	CN(C)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C23H22ClN3O3/c1-27(2)21(28)12-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)26-19-14-25-13-15-5-3-4-6-17(15)19/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,26,29)/t23-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

1WI

1WI
Name:	1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
Formula:	C25 H27 F N4 O4
SMILES:	CCC(CC)N1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F
InChi:	InChI=1S/C25H27FN4O4/c1-3-17(4-2)29-12-11-28(15-22(29)31)24(33)19-13-16(9-10-20(19)26)14-30-21-8-6-5-7-18(21)23(32)27-25(30)34/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,27,32,34)
Definition date:	2022-11-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione

9SO

9SO
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-3,5-dihydroxy-4-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C15 H24 N5 O17 P3
SMILES:	OP(=O)(O)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC1O
InChi:	InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(15(24)35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
Definition date:	2023-07-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-3,5-dihydroxy-4-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

DGL

DGL
Name:	D-GLUTAMIC ACID
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(N)CCC(=O)O
InChi:	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
Definition date:	1999-07-07
Last modified:	2023-11-03
Identifier:	D-glutamic acid

DGN

DGN
Name:	D-GLUTAMINE
Formula:	C5 H10 N2 O3
SMILES:	O=C(N)CCC(N)C(=O)O
InChi:	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-glutamine

DHI

DHI
Name:	D-HISTIDINE
Formula:	C6 H10 N3 O2
SMILES:	O=C(O)C(N)Cc1cnc[nH+]1
InChi:	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m1/s1
Definition date:	1999-09-08
Last modified:	2023-11-03
Identifier:	3-(1H-imidazol-3-ium-4-yl)-D-alanine

DIL

DIL
Name:	D-ISOLEUCINE
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)CC
InChi:	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-isoleucine

DLY

DLY
Name:	D-LYSINE
Formula:	C6 H14 N2 O2
SMILES:	O=C(O)C(N)CCCCN
InChi:	InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-lysine

DPR

DPR
Name:	D-PROLINE
Formula:	C5 H9 N O2
SMILES:	O=C(O)C1NCCC1
InChi:	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-proline

DSG

DSG
Name:	D-ASPARAGINE
Formula:	C4 H8 N2 O3
SMILES:	O=C(N)CC(N)C(=O)O
InChi:	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1
Definition date:	2004-06-28
Last modified:	2023-11-03
Identifier:	D-asparagine

DSN

DSN
Name:	D-SERINE
Formula:	C3 H7 N O3
SMILES:	O=C(O)C(N)CO
InChi:	InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-serine

DTH

DTH
Name:	D-THREONINE
Formula:	C4 H9 N O3
SMILES:	O=C(O)C(N)C(O)C
InChi:	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-threonine

DTR

DTR
Name:	D-TRYPTOPHAN
Formula:	C11 H12 N2 O2
SMILES:	O=C(O)C(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-tryptophan

DTY

DTY
Name:	D-TYROSINE
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-tyrosine

DVA

DVA
Name:	D-VALINE
Formula:	C5 H11 N O2
SMILES:	O=C(O)C(N)C(C)C
InChi:	InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-valine

GLX

GLX
Name:	GLU/GLN AMBIGUOUS
Formula:	C5 H8 N O2 X2
SMILES:	C(CC[CH](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I]
InChi:	InChI=C(CCC(N)C=O)([X])[X]
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-5-methylhexanal

H3I

H3I
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid
Formula:	C20 H24 N12 O6
SMILES:	N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(=O)Nc4ncnc5nc[nH]c45)C(O)=O
InChi:	InChI=1S/C20H24N12O6/c21-8(19(35)36)1-2-31(20(37)30-16-11-15(25-4-23-11)26-6-27-16)3-9-12(33)13(34)18(38-9)32-7-29-10-14(22)24-5-28-17(10)32/h4-9,12-13,18,33-34H,1-3,21H2,(H,35,36)(H2,22,24,28)(H2,23,25,26,27,30,37)/t8-,9+,12-,13?,18+/m0/s1
Definition date:	2023-07-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid

H9D

H9D
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol
Formula:	C22 H29 N11 O7
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCNc4ncnc5n(cnc45)[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:	InChI=1S/C22H29N11O7/c23-17-11-19(28-5-26-17)32(7-30-11)21-15(37)13(35)9(39-21)3-24-1-2-25-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)10(4-34)40-22/h5-10,13-16,21-22,24,34-38H,1-4H2,(H2,23,26,28)(H,25,27,29)
Definition date:	2023-07-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol

HIS

HIS
Name:	HISTIDINE
Formula:	C6 H10 N3 O2
SMILES:	O=C(O)C(N)Cc1cnc[nH+]1
InChi:	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-(1H-imidazol-3-ium-4-yl)-L-alanine

ILE

ILE
Name:	ISOLEUCINE
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)CC
InChi:	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	L-isoleucine

IO6

IO6
Name:	1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide
Formula:	C12 H16 N2 O5 S2
SMILES:	CCCCCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O
InChi:	InChI=1S/C12H16N2O5S2/c1-2-3-4-7-14-12(15)10-6-5-9(20(13,16)17)8-11(10)21(14,18)19/h5-6,8H,2-4,7H2,1H3,(H2,13,16,17)
Definition date:	2023-08-02
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide

DAR

DAR
Name:	D-ARGININE
Formula:	C6 H15 N4 O2
SMILES:	O=C(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium

DAS

DAS
Name:	D-ASPARTIC ACID
Formula:	C4 H7 N O4
SMILES:	O=C(O)CC(N)C(=O)O
InChi:	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-aspartic acid

ASX

ASX
Name:	ASP/ASN AMBIGUOUS
Formula:	C4 H6 N O2 X2
SMILES:	C(C[CH](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I]
Definition date:	1999-07-08
Last modified:	2023-11-03

IQ2

IQ2
Name:	2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide
Formula:	C11 H10 N2 O5 S2
SMILES:	CC#CCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O
InChi:	InChI=1S/C11H10N2O5S2/c1-2-3-6-13-11(14)9-5-4-8(19(12,15)16)7-10(9)20(13,17)18/h4-5,7H,6H2,1H3,(H2,12,15,16)
Definition date:	2023-08-02
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide

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