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O4L

O4L
Name:	N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Formula:	C17 H16 N4 O3
SMILES:	CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc32)c1C
InChi:	InChI=1S/C17H16N4O3/c1-9-8-14(11(3)22)10(2)21(9)20-17(24)15-12-6-4-5-7-13(12)16(23)19-18-15/h4-8H,1-3H3,(H,19,23)(H,20,24)
Definition date:	2023-08-16
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

MHZ

MHZ
Name:	5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE
Formula:	C14 H24 N8 O3
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCCNN)C)N
InChi:	InChI=1S/C14H24N8O3/c1-21(4-2-3-20-16)5-8-10(23)11(24)14(25-8)22-7-19-9-12(15)17-6-18-13(9)22/h6-8,10-11,14,20,23-24H,2-5,16H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1
Definition date:	2001-03-13
Last modified:	2024-09-27
Identifier:	5'-deoxy-5'-[(3-hydrazinopropyl)(methyl)amino]adenosine

TEE

TEE
Name:	2-AMINO-ETHENETHIOL
Formula:	C2 H5 N S
SMILES:	S/C=CN
InChi:	InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1-
Synonyms:	2-THIOETHENAMINE
Definition date:	2002-10-04
Last modified:	2024-09-27
Identifier:	(Z)-2-aminoethenethiol

SLA

SLA
Name:	Omuralide, open form
Formula:	C10 H17 N O4
SMILES:	O=CC1(NC(=O)C(C1O)C)C(O)C(C)C
InChi:	InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1
Synonyms:	(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde
Definition date:	2011-06-04
Last modified:	2024-09-27
Identifier:	(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde

OYL

OYL
Name:	1-ethyl-L-histidine
Formula:	C8 H13 N3 O2
SMILES:	O=C(O)C(N)Cc1ncn(c1)CC
InChi:	InChI=1S/C8H13N3O2/c1-2-11-4-6(10-5-11)3-7(9)8(12)13/h4-5,7H,2-3,9H2,1H3,(H,12,13)/t7-/m0/s1
Definition date:	2014-02-28
Last modified:	2024-09-27
Release date:	2014-06-25
Identifier:	1-ethyl-L-histidine

S6T

S6T
Name:	pretilachlor
Formula:	C17 H26 Cl N O2
SMILES:	CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
InChi:	InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
Synonyms:	2-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide
Definition date:	2020-11-10
Last modified:	2024-09-27
Release date:	2021-01-13
Identifier:	2-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide

MV9

MV9
Name:	(2~{R})-3-methyl-2-(methylamino)butanoic acid
Formula:	C6 H13 N O2
SMILES:	CN[CH](C(C)C)C(O)=O
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m1/s1
Synonyms:	N-Methyl-D-valine
Definition date:	2015-12-01
Last modified:	2024-09-27
Release date:	2016-03-16
Identifier:	(2~{R})-3-methyl-2-(methylamino)butanoic acid

VVW

VVW
Name:	1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea
Formula:	C32 H35 Cl2 N9 O6
SMILES:	C[CH](Oc1cc(NC(=O)Nc2nc(C=O)c(CN3CCN(C)CC3=O)cc2OCCN4CCOCC4)ncc1C#N)c5c(Cl)cncc5Cl
InChi:	InChI=1S/C32H35Cl2N9O6/c1-20(30-23(33)15-36-16-24(30)34)49-26-12-28(37-14-22(26)13-35)39-32(46)40-31-27(48-10-7-42-5-8-47-9-6-42)11-21(25(19-44)38-31)17-43-4-3-41(2)18-29(43)45/h11-12,14-16,19-20H,3-10,17-18H2,1-2H3,(H2,37,38,39,40,46)/t20-/m1/s1
Definition date:	2023-08-22
Last modified:	2024-09-27
Release date:	2024-07-31
Identifier:	1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea

MVA

MVA
Name:	N-METHYLVALINE
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(NC)C(C)C
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-methyl-L-valine

PSW

PSW
Name:	3-(SULFANYLSELANYL)-L-ALANINE
Formula:	C3 H7 N O2 S Se
SMILES:	O=C(O)C(N)C[Se]S
InChi:	InChI=1S/C3H7NO2SSe/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Definition date:	2009-08-07
Last modified:	2024-09-27
Identifier:	3-(sulfanylselanyl)-L-alanine

NAU

NAU
Name:	4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACID
Formula:	C11 H21 N O9
SMILES:	O=C(NC(C(O)(O)CCC(=O)O)C(O)C(O)C(O)CO)C
InChi:	InChI=1S/C11H21NO9/c1-5(14)12-10(9(19)8(18)6(15)4-13)11(20,21)3-2-7(16)17/h6,8-10,13,15,18-21H,2-4H2,1H3,(H,12,14)(H,16,17)/t6-,8-,9+,10+/m1/s1
Definition date:	2000-07-14
Last modified:	2024-09-27
Identifier:	(5S,6R,7S,8R)-5-(acetylamino)-4,4,6,7,8,9-hexahydroxynonanoic acid (non-preferred name)

NOP

NOP
Name:	PYRIDOXAL-5'-PHOSPHATE-N-OXIDE
Formula:	C8 H10 N O7 P
SMILES:	[O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O
InChi:	InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(4-formyl-5-hydroxy-6-methyl-1-oxidopyridin-3-yl)methyl dihydrogen phosphate

RER

RER
Name:	vancosamine
Formula:	C7 H15 N O3
SMILES:	OC1OC(C(O)C(N)(C)C1)C
InChi:	InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6+,7-/m0/s1
Synonyms:	(1R,3S,4S,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose
Definition date:	2010-09-06
Last modified:	2024-09-27
Identifier:	3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranose

PSX

PSX
Name:	[(2S,3R,4S)-2,4-DIHYDROXY-3-METHYLHEXYL]PHOSPHONIC ACID
Formula:	C7 H17 O5 P
SMILES:	O=P(O)(O)CC(O)C(C(O)CC)C
InChi:	InChI=1S/C7H17O5P/c1-3-6(8)5(2)7(9)4-13(10,11)12/h5-9H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6+,7-/m1/s1
Definition date:	2006-06-06
Last modified:	2024-09-27
Identifier:	[(2S,3R,4S)-2,4-dihydroxy-3-methylhexyl]phosphonic acid

O4Q

O4Q
Name:	(~{E})-4-chloranyl-3-methyl-but-3-enal
Formula:	C5 H7 Cl O2
SMILES:	CC(CC(O)=O)=CCl
InChi:	InChI=1S/C5H7ClO2/c1-4(3-6)2-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+
Definition date:	2020-01-31
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	(~{E})-4-chloranyl-3-methyl-but-3-enoic acid

NOQ

NOQ
Name:	(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
Formula:	C17 H26 N2 O4 S
SMILES:	O=S(=O)(c1ccc(OC)cc1)CC2C(C(=O)NCCN)CCCC2
InChi:	InChI=1S/C17H26N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,10-12,18H2,1H3,(H,19,20)/t13-,16+/m0/s1
Definition date:	2005-12-22
Last modified:	2024-09-27
Identifier:	(1R,2R)-N-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide

NAV
Name:	6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-4-OXONONANOIC ACID
Formula:	C11 H19 N O8
SMILES:	O=C(O)CCC(=O)C(NC(=O)C)C(O)C(O)C(O)CO
InChi:	InChI=1S/C11H19NO8/c1-5(14)12-9(6(15)2-3-8(17)18)11(20)10(19)7(16)4-13/h7,9-11,13,16,19-20H,2-4H2,1H3,(H,12,14)(H,17,18)/t7-,9-,10-,11-/m1/s1
Definition date:	2000-07-17
Last modified:	2024-09-27
Identifier:	5-(acetylamino)-2,3,5-trideoxy-D-manno-non-4-ulosonic acid

NOR

NOR
Name:	CYCLOHEXYL-NORSTATINE
Formula:	C13 H25 N O3
SMILES:	O=C(OC(C)C)C(O)C(N)CC1CCCCC1
InChi:	InChI=1S/C13H25NO3/c1-9(2)17-13(16)12(15)11(14)8-10-6-4-3-5-7-10/h9-12,15H,3-8,14H2,1-2H3/t11-,12+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	propan-2-yl (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoate

RET

RET
Name:	RETINAL
Formula:	C20 H28 O
SMILES:	O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C
InChi:	InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	retinal

PDW

PDW
Name:	methyl D-prolinate
Formula:	C6 H11 N O2
SMILES:	O=C(OC)C1NCCC1
InChi:	InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1
Definition date:	2011-11-30
Last modified:	2024-09-27
Release date:	2012-11-16
Identifier:	methyl D-prolinate

O4R

O4R
Name:	2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C20 H27 Cl N2 O3
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccccc3
InChi:	InChI=1S/C20H27ClN2O3/c21-14-18(24)22-15-16-8-12-23(13-9-16)19(25)20(10-4-5-11-20)26-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,22,24)
Definition date:	2022-08-26
Last modified:	2024-09-27
Release date:	2023-09-06
Identifier:	2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide

PSY

PSY
Name:	phenyl ethenesulfonate
Formula:	C8 H8 O3 S
SMILES:	O=S(=O)(Oc1ccccc1)C=C
InChi:	InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
Definition date:	2007-12-14
Last modified:	2024-09-27
Identifier:	phenyl ethenesulfonate

AS2

AS2
Name:	(2R)-2-AMINO-4-OXOBUTANOIC ACID
Formula:	C4 H7 N O3
SMILES:	O=CCC(N)C(=O)O
InChi:	InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1
Synonyms:	ASPARTATE SEMIALDEHYDE
Definition date:	2003-07-10
Last modified:	2024-09-27
Identifier:	(2R)-2-amino-4-oxobutanoic acid

NOT

NOT
Name:	6-azido-L-norleucine
Formula:	C6 H12 N4 O2
SMILES:	[N-]=[N+]=N/CCCCC(N)C(=O)O
InChi:	InChI=1S/C6H12N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H,11,12)/t5-/m0/s1
Synonyms:	AZIDONORLEUCINE
Definition date:	2009-05-08
Last modified:	2024-09-27
Identifier:	6-azido-L-norleucine

REV

REV
Name:	2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol
Formula:	C17 H20 O4
SMILES:	O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C
InChi:	InChI=1S/C17H20O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h5-10,12,18-19H,4H2,1-3H3/t12-/m0/s1
Definition date:	2014-04-25
Last modified:	2024-09-27
Release date:	2014-10-15
Identifier:	2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol

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