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NSO

NSO
Name:	~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
Formula:	C28 H28 F N7 O
SMILES:	CN1CCN(CC1)c2ccc(Nc3nc(Nc4cccc(NC(=O)C=C)c4)c5cc(F)ccc5n3)cc2
InChi:	InChI=1S/C28H28FN7O/c1-3-26(37)30-21-5-4-6-22(18-21)31-27-24-17-19(29)7-12-25(24)33-28(34-27)32-20-8-10-23(11-9-20)36-15-13-35(2)14-16-36/h3-12,17-18H,1,13-16H2,2H3,(H,30,37)(H2,31,32,33,34)
Definition date:	2023-01-18
Last modified:	2024-09-27
Release date:	2023-08-23
Identifier:	~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide

S9Z

S9Z
Name:	~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
Formula:	C25 H30 Br N3 O3
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3
InChi:	InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)
Definition date:	2020-11-13
Last modified:	2024-09-27
Release date:	2021-06-30
Identifier:	~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide

NEN

NEN
Name:	1-ETHYL-PYRROLIDINE-2,5-DIONE
Formula:	C6 H9 N O2
SMILES:	O=C1N(C(=O)CC1)CC
InChi:	InChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3
Definition date:	1999-08-17
Last modified:	2024-09-27
Identifier:	1-ethylpyrrolidine-2,5-dione

ZAI

ZAI
Name:	(2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid
Formula:	C17 H29 N4 O9 P S
SMILES:	Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C(O)=O)N[CH](CS)C(O)=O)c1O
InChi:	InChI=1S/C17H29N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,15,19,21-22,32H,2-5,7-8,18H2,1H3,(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12+,15+/m0/s1
Definition date:	2022-07-05
Last modified:	2024-09-27
Release date:	2023-07-05
Identifier:	(2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid

RVJ

RVJ
Name:	3-triazan-1-yl-L-alanine
Formula:	C3 H10 N4 O2
SMILES:	NC(CNNN)C(=O)O
InChi:	InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1
Definition date:	2020-02-26
Last modified:	2024-09-27
Release date:	2020-07-01
Identifier:	3-triazan-1-yl-L-alanine

V2X

V2X
Name:	(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide
Formula:	C13 H16 N2 O2
SMILES:	CC(=O)NNC(=O)[CH]1C[CH]1c2cccc(C)c2
InChi:	InChI=1S/C13H16N2O2/c1-8-4-3-5-10(6-8)11-7-12(11)13(17)15-14-9(2)16/h3-6,11-12H,7H2,1-2H3,(H,14,16)(H,15,17)/t11-,12+/m1/s1
Definition date:	2023-02-21
Last modified:	2024-09-27
Release date:	2023-11-15
Identifier:	(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide

ZAL

ZAL
Name:	3-cyclohexyl-D-alanine
Formula:	C9 H17 N O2
SMILES:	O=C(O)C(N)CC1CCCCC1
InChi:	InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1
Definition date:	2009-01-26
Last modified:	2024-09-27
Identifier:	3-cyclohexyl-D-alanine

PVA

PVA
Name:	1-AMINO-2-METHYL-PROPYLPHOSPHONIC ACID
Formula:	C4 H12 N O3 P
SMILES:	O=P(O)(O)C(N)C(C)C
InChi:	InChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-amino-2-methylpropyl]phosphonic acid

SA1

SA1
Name:	(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE
Formula:	C15 H21 N O4
SMILES:	O=C1NC(C=O)(C2(OCCC12)C)C(O)C3C=CCCC3
InChi:	InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1
Synonyms:	Salinosporamide A, bound form
Definition date:	2005-12-29
Last modified:	2024-09-27
Identifier:	(3aR,6R,6aS)-6-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-6a-methyl-4-oxohexahydro-2H-furo[2,3-c]pyrrole-6-carbaldehyde

ZT1

ZT1
Name:	N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine
Formula:	C14 H26 N4 O2
SMILES:	Cn1cncc1CN(CCCCC(N)C(=O)O)C(C)C
InChi:	InChI=1S/C14H26N4O2/c1-11(2)18(9-12-8-16-10-17(12)3)7-5-4-6-13(15)14(19)20/h8,10-11,13H,4-7,9,15H2,1-3H3,(H,19,20)/t13-/m0/s1
Definition date:	2021-05-28
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine

MLE

MLE
Name:	N-METHYLLEUCINE
Formula:	C7 H15 N O2
SMILES:	O=C(O)C(NC)CC(C)C
InChi:	InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-methyl-L-leucine

SA2

SA2
Name:	(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE
Formula:	C13 H19 N O9 S
SMILES:	O=C(OCC(S(=O)O)(C(C(=O)O)NC=CC=O)C)CCCC(=O)O
InChi:	InChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1
Synonyms:	4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID
Definition date:	2006-06-09
Last modified:	2024-09-27
Identifier:	(3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine

NEP

NEP
Name:	N1-PHOSPHONOHISTIDINE
Formula:	C6 H10 N3 O5 P
SMILES:	O=P(O)(O)n1cc(nc1)CC(C(=O)O)N
InChi:	InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/t5-/m0/s1
Definition date:	1999-07-26
Last modified:	2024-09-27
Identifier:	1-phosphono-L-histidine

UPG

UPG
Name:	URIDINE-5'-DIPHOSPHATE-GLUCOSE
Formula:	C15 H24 N2 O17 P2
SMILES:	O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
InChi:	InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
Synonyms:	URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

T3J

T3J
Name:	1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
Formula:	C12 H14 F N O2
SMILES:	c1(ccc(F)cc1)C2CN(C(C)=O)CCO2
InChi:	InChI=1S/C12H14FNO2/c1-9(15)14-6-7-16-12(8-14)10-2-4-11(13)5-3-10/h2-5,12H,6-8H2,1H3/t12-/m0/s1
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one

NEQ

NEQ
Name:	N-ETHYLMALEIMIDE
Formula:	C6 H7 N O2
SMILES:	O=C1C=CC(=O)N1CC
InChi:	InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
Definition date:	2000-11-28
Last modified:	2024-09-27
Identifier:	1-ethyl-1H-pyrrole-2,5-dione

SA6

SA6
Name:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
Formula:	C15 H23 N O4
SMILES:	O=CC1(NC(=O)C(C1(O)C)CC)C(O)C2C=CCCC2
InChi:	InChI=1S/C15H23NO4/c1-3-11-13(19)16-15(9-17,14(11,2)20)12(18)10-7-5-4-6-8-10/h5,7,9-12,18,20H,3-4,6,8H2,1-2H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1
Definition date:	2010-04-20
Last modified:	2024-09-27
Identifier:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde

ZAP

ZAP
Name:	[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE
Formula:	C16 H18 N3 O5 P
SMILES:	O=P(O)(O)C(c1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2
InChi:	InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1
Synonyms:	Z-AMIDINOPHENYLMETHANE-PHOSPHONATE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(R)-{[(benzyloxy)carbonyl]amino}(4-carbamimidoylphenyl)methyl]phosphonic acid

PVE

PVE
Name:	(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM
Formula:	C17 H18 N3 O7
SMILES:	O=C(O)CCC(=O)Nc1cc3c([n+]2c1NCCC2C(=O)O)cc(O)c(O)c3
InChi:	InChI=1S/C17H17N3O7/c21-12-6-8-5-9(19-14(23)1-2-15(24)25)16-18-4-3-10(17(26)27)20(16)11(8)7-13(12)22/h5-7,10H,1-4H2,(H5,18,19,21,22,23,24,25,26,27)/p+1/t10-/m0/s1
Definition date:	2008-10-14
Last modified:	2024-09-27
Identifier:	(1S)-1-carboxy-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium

VIG

VIG
Name:	4-AMINO HEXANOIC ACID
Formula:	C6 H13 N O2
SMILES:	O=C(O)CCC(N)CC
InChi:	InChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1
Definition date:	2003-06-03
Last modified:	2024-09-27
Identifier:	(4R)-4-aminohexanoic acid

MLI

MLI
Name:	MALONATE ION
Formula:	C3 H2 O4
SMILES:	[O-]C(=O)CC([O-])=O
InChi:	InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
Definition date:	2003-06-12
Last modified:	2024-09-27
Identifier:	propanedioate

ZT6

ZT6
Name:	(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine
Formula:	C18 H30 Cl N O4 Si
SMILES:	Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O
InChi:	InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17+/m0/s1
Definition date:	2023-03-30
Last modified:	2024-09-27
Release date:	2023-06-21
Identifier:	(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine

UPJ

UPJ
Name:	1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide
Formula:	C15 H20 N2 O2
SMILES:	N(c1ccccc1)(C)C(C2CCN(C(C)=O)CC2)=O
InChi:	InChI=1S/C15H20N2O2/c1-12(18)17-10-8-13(9-11-17)15(19)16(2)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3
Definition date:	2020-05-26
Last modified:	2024-09-27
Release date:	2020-06-10
Identifier:	1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide

NSU

NSU
Name:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C13 H18 N4 O6
SMILES:	OC(=O)CN(C1COCC1N)C(=O)CN1C=C(C)C(=O)NC1=O
InChi:	InChI=1S/C13H18N4O6/c1-7-2-16(13(22)15-12(7)21)3-10(18)17(4-11(19)20)9-6-23-5-8(9)14/h2,8-9H,3-6,14H2,1H3,(H,19,20)(H,15,21,22)/t8-,9-/m0/s1
Definition date:	2022-04-07
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

UPK

UPK
Name:	2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol
Formula:	C16 H12 N2 O2
SMILES:	Oc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H12N2O2/c19-11-13-6-7-14(10-15(13)20)18-9-8-17-16(18)12-4-2-1-3-5-12/h1-11,20H
Definition date:	2021-03-04
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	2-oxidanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

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