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XP1

XP1
Name:	4-(DIMETHYLAMINO)BENZOIC ACID
Formula:	C9 H11 N O2
SMILES:	O=C(O)c1ccc(N(C)C)cc1
InChi:	InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
Definition date:	2007-07-19
Last modified:	2024-09-27
Identifier:	4-(dimethylamino)benzoic acid

MAY

MAY
Name:	METHYL ARACHIDONYL FLUOROPHOSPHONATE
Formula:	C21 H36 F O2 P
SMILES:	FP(=O)(OC)CCCCC=C/CC=C/CC=C/CC=C/CCCCC
InChi:	InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1
Synonyms:	MAFP
Definition date:	2002-10-01
Last modified:	2024-09-27
Identifier:	methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate

USA

USA
Name:	(E)-1-(1H-imidazol-2-yl)methanimine
Formula:	C4 H5 N3
SMILES:	n1ccnc1/C=N
InChi:	InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+
Definition date:	2020-05-28
Last modified:	2024-09-27
Release date:	2020-06-10
Identifier:	(E)-1-(1H-imidazol-2-yl)methanimine

NXC

NXC
Name:	(2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+)
Formula:	C23 H33 Cl N3 O5 P Pt
SMILES:	CCO[P](=O)(CCCc1cc2CN(C)(C)\|[Pt]3(Cl)\|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O
InChi:	InChI=1S/C23H33N3O5P.ClH.Pt/c1-6-30-32(29,31-23-11-9-22(10-12-23)26(27)28)13-7-8-19-14-20(17-24(2)3)16-21(15-19)18-25(4)5
Synonyms:	ethyl 4-nitrophenyl P-[3-(4-(chloroplatino)-1,3-bis > [(dimethylamino)methyl]-phenyl)propyl]phosphonate
Definition date:	2008-09-12
Last modified:	2024-09-27

MAZ

MAZ
Name:	FORMIC ACID 3-AMINO-BENZYL ESTER
Formula:	C8 H9 N O3
SMILES:	O=COCc1cc(N)ccc1
InChi:	InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11)
Synonyms:	META-AMINO BENZYLOCARBONYL
Definition date:	2001-09-21
Last modified:	2024-09-27
Identifier:	3-aminobenzyl formate

V7P

V7P
Name:	(2S)-2-amino-3-(6-fluoroquinolin-4-yl)propanal
Formula:	C12 H11 F N2 O2
SMILES:	c2(F)ccc1c(c(ccn1)CC(C=O)N)c2
InChi:	InChI=1S/C12H11FN2O2/c13-8-1-2-11-9(6-8)7(3-4-15-11)5-10(14)12(16)17/h1-4,6,10H,5,14H2,(H,16,17)/t10-/m0/s1
Definition date:	2020-07-13
Last modified:	2024-09-27
Release date:	2020-11-18
Identifier:	(2S)-2-amino-3-(6-fluoroquinolin-4-yl)propanal

PL7

PL7
Name:	(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID
Formula:	C16 H18 N2 O9
SMILES:	O=C(O)CCC(=NOCC(C(=O)O)NC(=O)COc1ccccc1)/C(=O)O
InChi:	InChI=1S/C16H18N2O9/c19-13(9-26-10-4-2-1-3-5-10)17-12(16(24)25)8-27-18-11(15(22)23)6-7-14(20)21/h1-5,12H,6-9H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b18-11+/t12-/m0/s1
Synonyms:	PHENYLACETYL LACTIVICIN
Definition date:	2006-12-23
Last modified:	2024-09-27
Identifier:	(2E)-2-({(2S)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid

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:	2024-09-27
Release date:	2013-01-11
Identifier:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid

NIN

NIN
Name:	DINITROPHENYLENE
Formula:	C6 H4 N2 O4
SMILES:	O=[N+]([O-])c1cccc([N+]([O-])=O)c1
InChi:	InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
Definition date:	2001-01-26
Last modified:	2024-09-27
Identifier:	1,3-dinitrobenzene

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

ZXM

ZXM
Name:	1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid
Formula:	C11 H13 B N4 O5 S
SMILES:	O=C(NC(B(O)O)Cn1nnc(C(=O)O)c1)Cc2sccc2
InChi:	InChI=1S/C11H13BN4O5S/c17-10(4-7-2-1-3-22-7)13-9(12(20)21)6-16-5-8(11(18)19)14-15-16/h1-3,5,9,20-21H,4,6H2,(H,13,17)(H,18,19)/t9-/m0/s1
Definition date:	2014-07-15
Last modified:	2024-09-27
Release date:	2014-11-19
Identifier:	1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid

USD

USD
Name:	(E)-1-(pyrimidin-2-yl)methanimine
Formula:	C5 H5 N3
SMILES:	n1cccnc1/C=N
InChi:	InChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+
Definition date:	2020-05-28
Last modified:	2024-09-27
Release date:	2020-06-10
Identifier:	(E)-1-(pyrimidin-2-yl)methanimine

V7S

V7S
Name:	1,3-bis[(methylsulfanyl)methyl]benzene
Formula:	C10 H14 S2
SMILES:	CSCc1cccc(c1)CSC
InChi:	InChI=1S/C10H14S2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h3-6H,7-8H2,1-2H3
Definition date:	2020-07-13
Last modified:	2024-09-27
Release date:	2020-11-18
Identifier:	1,3-bis[(methylsulfanyl)methyl]benzene

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:	2024-09-27
Release date:	2022-04-06
Identifier:	(2~{R})-6-azanyl-2-carbamimidamido-hexanoic acid

LI5

LI5
Name:	2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATE
Formula:	C7 H13 O6 P
SMILES:	O=P(O)OCC(O)CC(=O)C(=O)CC
InChi:	InChI=1S/C7H13O6P/c1-2-6(9)7(10)3-5(8)4-13-14(11)12/h5,8,14H,2-4H2,1H3,(H,11,12)/t5-/m1/s1
Definition date:	2005-01-03
Last modified:	2024-09-27
Identifier:	(2R)-2-hydroxy-4,5-dioxoheptyl hydrogen (R)-phosphonate

STA

STA
Name:	STATINE
Formula:	C8 H17 N O3
SMILES:	O=C(O)CC(O)C(N)CC(C)C
InChi:	InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid

A1H0F

A1H0F
Name:	(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol
Formula:	C5 H8 F2 O3
SMILES:	OC[CH]1OCC(F)(F)[CH]1O
InChi:	InChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
Definition date:	2023-12-15
Last modified:	2024-09-27
Release date:	2024-02-21
Identifier:	(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol

VMM

VMM
Name:	ETX0462 (Bound form)
Formula:	C10 H16 N6 O7 S
SMILES:	c12cnn(C)c1C(C(NC)=NO)N(C(=O)O)CC2NOS(=O)(O)=O
InChi:	InChI=1S/C10H16N6O7S/c1-11-9(13-19)8-7-5(3-12-15(7)2)6(4-16(8)10(17)18)14-23-24(20,21)22/h3,6,8,14,19H,4H2,1-2H3,(H,11,13)(H,17,18)(H,20,21,22)/t6-,8-/m0/s1
Synonyms:	(4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
Definition date:	2020-08-27
Last modified:	2024-09-27
Release date:	2021-05-26
Identifier:	(4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid

ZXQ

ZXQ
Name:	{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid
Formula:	C13 H16 B N O5 S
SMILES:	O=C(NC1CC=CC(CC(=O)O)OB1O)Cc1cccs1
InChi:	InChI=1S/C13H16BNO5S/c16-12(8-10-4-2-6-21-10)15-11-5-1-3-9(7-13(17)18)20-14(11)19/h1-4,6,9,11,19H,5,7-8H2,(H,15,16)(H,17,18)/t9-,11+/m1/s1
Definition date:	2022-01-13
Last modified:	2024-09-27
Release date:	2022-05-18
Identifier:	{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid

NXI

NXI
Name:	~{N}-(1~{H}-indazol-5-ylmethyl)propanamide
Formula:	C11 H13 N3 O
SMILES:	CCC(=O)NCc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C11H13N3O/c1-2-11(15)12-6-8-3-4-10-9(5-8)7-13-14-10/h3-5,7H,2,6H2,1H3,(H,12,15)(H,13,14)
Synonyms:	N-(1H-indazol-5-ylmethyl)prop-2-enamide (precursor)
Definition date:	2022-08-24
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	~{N}-(1~{H}-indazol-5-ylmethyl)propanamide

5GF

5GF
Name:	5-fluoro-beta-D-glucopyranose
Formula:	C6 H11 F O6
SMILES:	FC1(OC(O)C(O)C(O)C1O)CO
InChi:	InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	5-fluoro-beta-D-glucose
Definition date:	2012-09-09
Last modified:	2024-09-27
Release date:	2012-11-09
Identifier:	(2R,3R,4R,5S,6S)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)

USH

USH
Name:	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide
Formula:	C14 H19 Cl N2 O3
SMILES:	CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl
InChi:	InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
Definition date:	2021-03-12
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide

XAY

XAY
Name:	2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid
Formula:	C25 H21 N3 O4
SMILES:	OC(=O)c1ccccc1NC(=O)C(C#N)Cc2cc(ccc2)NC(c3ccc(cc3)C)=O
InChi:	InChI=1S/C25H21N3O4/c1-16-9-11-18(12-10-16)23(29)27-20-6-4-5-17(14-20)13-19(15-26)24(30)28-22-8-3-2-7-21(22)25(31)32/h2-12,14,19H,13H2,1H3,(H,27,29)(H,28,30)(H,31,32)/t19-/m0/s1
Definition date:	2020-12-08
Last modified:	2024-09-27
Release date:	2021-12-15
Identifier:	2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid

W28

W28
Name:	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
Formula:	C22 H30 N4 O4
SMILES:	CC(C)CC(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C22H30N4O4/c1-13(2)9-18(21(29)24-16(12-27)10-15-7-8-23-20(15)28)26-22(30)19-11-14-5-3-4-6-17(14)25-19/h3-6,11,13,15-16,18,25,27H,7-10,12H2,1-2H3,(H,23,28)(H,24,29)(H,26,30)/t15-,16-,18-/m0/s1
Definition date:	2023-09-21
Last modified:	2024-09-27
Release date:	2024-02-07
Identifier:	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide

5GG

5GG
Name:	Deoxyhypusine
Formula:	C10 H23 N3 O2
SMILES:	NC(C(=O)O)CCCCNCCCCN
InChi:	InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1
Definition date:	2015-09-23
Last modified:	2024-09-27
Release date:	2016-01-20
Identifier:	N~6~-(4-aminobutyl)-L-lysine

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