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PSA

PSA
Name:	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
Formula:	C11 H15 N O3
SMILES:	O=C(O)CC(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-amino-2,4,5-trideoxy-5-phenyl-L-threo-pentonic acid

QZ7

QZ7
Name:	N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C20 H33 F2 N3 O5
SMILES:	C1(F)(CCC(CC1)OC(=O)NC(CC(C)C)C(NC(CC2C(=O)NCC2)CO)=O)F
InChi:	InChI=1S/C20H33F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h12-16,26H,3-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13-,14-,16-/m0/s1
Definition date:	2020-01-15
Last modified:	2024-09-27
Release date:	2020-08-12
Identifier:	N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

ARF

ARF
Name:	FORMAMIDE
Formula:	C H3 N O
SMILES:	O=CN
InChi:	InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
Definition date:	2006-09-21
Last modified:	2024-09-27
Identifier:	formamide

RE6

RE6
Name:	(5R)-5-methylheptanoic acid
Formula:	C8 H16 O2
SMILES:	CCC(C)CCCC(=O)O
InChi:	InChI=1S/C8H16O2/c1-3-7(2)5-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1
Definition date:	2022-06-22
Last modified:	2024-09-27
Release date:	2022-09-14
Identifier:	(5R)-5-methylheptanoic acid

M1R

M1R
Name:	1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
Formula:	C30 H38 N6 O2
SMILES:	c5(N2Cc3nc(nc(N1CCN(CC1)C(CC)=O)c3CC2)OCC4N(C)CCC4)cccc6c5cccc6
InChi:	InChI=1S/C30H38N6O2/c1-3-28(37)34-16-18-35(19-17-34)29-25-13-15-36(27-12-6-9-22-8-4-5-11-24(22)27)20-26(25)31-30(32-29)38-21-23-10-7-14-33(23)2/h4-6,8-9,11-12,23H,3,7,10,13-21H2,1-2H3/t23-/m0/s1
Definition date:	2019-10-31
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one

S6B

S6B
Name:	3-chloranyl-4-imidazol-1-yl-benzaldehyde
Formula:	C10 H9 Cl N2 O
SMILES:	OCc1ccc(n2ccnc2)c(Cl)c1
InChi:	InChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2
Definition date:	2020-11-10
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	(3-chloranyl-4-imidazol-1-yl-phenyl)methanol

MHH

MHH
Name:	methyl hydrogen (R)-hexylphosphonate
Formula:	C7 H17 O3 P
SMILES:	O=P(O)(OC)CCCCCC
InChi:	InChI=1S/C7H17O3P/c1-3-4-5-6-7-11(8,9)10-2/h3-7H2,1-2H3,(H,8,9)
Definition date:	2008-01-28
Last modified:	2024-09-27
Identifier:	methyl hydrogen (R)-hexylphosphonate

ARG

ARG
Name:	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-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium

QZA

QZA
Name:	(2R,3S)-3-amino-1-chlorobutan-2-ol
Formula:	C4 H10 Cl N O
SMILES:	NC(C)C(CCl)O
InChi:	InChI=1S/C4H10ClNO/c1-3(6)4(7)2-5/h3-4,7H,2,6H2,1H3/t3-,4-/m0/s1
Synonyms:	(3S)-3-amino-1-chlorobutan-2-one, bound form
Definition date:	2020-01-16
Last modified:	2024-09-27
Release date:	2020-09-16
Identifier:	(2R,3S)-3-amino-1-chlorobutan-2-ol

NO6

NO6
Name:	S-[(pyridin-2-yl)methyl]-L-cysteine
Formula:	C9 H12 N2 O2 S
SMILES:	O=C(O)C(N)CSCc1ccccn1
InChi:	InChI=1S/C9H12N2O2S/c10-8(9(12)13)6-14-5-7-3-1-2-4-11-7/h1-4,8H,5-6,10H2,(H,12,13)/t8-/m0/s1
Definition date:	2022-04-06
Last modified:	2024-09-27
Release date:	2023-08-30
Identifier:	S-[(pyridin-2-yl)methyl]-L-cysteine

SKU

SKU
Name:	3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]sulfamoyl]benzenesulfonic acid
Formula:	C18 H14 Cl N O7 S3
SMILES:	COC(=O)c1sc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)c3ccc(Cl)cc3
InChi:	InChI=1S/C18H14ClNO7S3/c1-27-18(21)17-15(10-16(28-17)11-5-7-12(19)8-6-11)20-29(22,23)13-3-2-4-14(9-13)30(24,25)26/h2-10,20H,1H3,(H,24,25,26)
Definition date:	2023-04-13
Last modified:	2024-09-27
Release date:	2024-03-27
Identifier:	3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]sulfamoyl]benzenesulfonic acid

UZS

UZS
Name:	N-hydroxy-7-sulfanylheptanamide
Formula:	C7 H15 N O2 S
SMILES:	ONC(CCCCCCS)=O
InChi:	InChI=1S/C7H15NO2S/c9-7(8-10)5-3-1-2-4-6-11/h10-11H,1-6H2,(H,8,9)
Definition date:	2020-06-09
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	N-hydroxy-7-sulfanylheptanamide

PSE

PSE
Name:	O-PHOSPHOETHANOLAMINE
Formula:	C3 H10 N O5 P
SMILES:	O=P(O)(O)OCC(N)CO
InChi:	InChI=1S/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/t3-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2-amino-3-hydroxypropyl dihydrogen phosphate

O44

O44
Name:	4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
Formula:	C25 H27 F N8 O3 S
SMILES:	O=S(=O)(c1ccc(cc1)CN2CCN(CC2)c3nc(C(NCC#C)=O)cc(n3)Nc4cc(nn4)C5CC5)F
InChi:	InChI=1S/C25H27FN8O3S/c1-2-9-27-24(35)21-15-22(29-23-14-20(31-32-23)18-5-6-18)30-25(28-21)34-12-10-33(11-13-34)16-17-3-7-19(8-4-17)38(26,36)37/h1,3-4,7-8,14-15,18H,5-6,9-13,16H2,(H,27,35)(H2,28,29,30,31,32)
Definition date:	2016-06-01
Last modified:	2024-09-27
Release date:	2017-01-25
Identifier:	4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride

OIW

OIW
Name:	(2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol
Formula:	C6 H10 O4
SMILES:	O[CH]1C=C[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m0/s1
Synonyms:	D-carbaxylosyl chloride
Definition date:	2022-09-08
Last modified:	2024-09-27
Release date:	2024-03-13
Identifier:	(1~{S},2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol

NAD

NAD
Name:	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Formula:	C21 H27 N7 O14 P2
SMILES:	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate

MHL

MHL
Name:	N-METHYL-4-HYDROXY-LEUCINE
Formula:	C7 H15 N O3
SMILES:	O=C(O)C(NC)CC(O)(C)C
InChi:	InChI=1S/C7H15NO3/c1-7(2,11)4-5(8-3)6(9)10/h5,8,11H,4H2,1-3H3,(H,9,10)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-hydroxy-N-methyl-L-leucine

PDD

PDD
Name:	N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE
Formula:	C11 H17 N2 O7 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
InChi:	InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1
Definition date:	2002-03-18
Last modified:	2024-09-27
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-alanine

QZD

QZD
Name:	N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C20 H35 N3 O7
SMILES:	C(C(NC(C(CC(C)C)NC(OC1(COCOC1)CC)=O)=O)CO)C2C(=O)NCC2
InChi:	InChI=1S/C20H35N3O7/c1-4-20(10-28-12-29-11-20)30-19(27)23-16(7-13(2)3)18(26)22-15(9-24)8-14-5-6-21-17(14)25/h13-16,24H,4-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16-/m0/s1
Definition date:	2020-01-17
Last modified:	2024-09-27
Release date:	2020-08-12
Identifier:	N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

UZV

UZV
Name:	N-hydroxy-5-sulfanylpentanamide
Formula:	C5 H11 N O2 S
SMILES:	C(CCCCS)(NO)=O
InChi:	InChI=1S/C5H11NO2S/c7-5(6-8)3-1-2-4-9/h8-9H,1-4H2,(H,6,7)
Definition date:	2020-06-09
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	N-hydroxy-5-sulfanylpentanamide

S6F

S6F
Name:	~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide
Formula:	C11 H12 Cl N O2
SMILES:	CC(=O)N[CH](Cc1ccccc1Cl)C=O
InChi:	InChI=1S/C11H12ClNO2/c1-8(15)13-10(7-14)6-9-4-2-3-5-11(9)12/h2-5,7,10H,6H2,1H3,(H,13,15)/t10-/m0/s1
Definition date:	2022-12-13
Last modified:	2024-09-27
Release date:	2022-12-21
Identifier:	~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide

M1V

M1V
Name:	mesobiliverdin IX(alpha)
Formula:	C33 H38 N4 O6
SMILES:	CCC1=C(C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4CC)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
InChi:	InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-
Definition date:	2013-07-31
Last modified:	2024-09-27
Release date:	2014-06-18
Identifier:	3-[5-[(Z)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(Z)-[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

PDF

PDF
Name:	4,4-difluoro-L-proline
Formula:	C5 H7 F2 N O2
SMILES:	O=C(O)C1NCC(F)(F)C1
InChi:	InChI=1S/C5H7F2NO2/c6-5(7)1-3(4(9)10)8-2-5/h3,8H,1-2H2,(H,9,10)/t3-/m0/s1
Definition date:	2008-10-07
Last modified:	2024-09-27
Release date:	2015-06-17
Identifier:	4,4-difluoro-L-proline

PSH

PSH
Name:	1-thiophosphono-L-histidine
Formula:	C6 H10 N3 O4 P S
SMILES:	O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O
InChi:	InChI=1S/C6H10N3O4PS/c7-5(6(10)11)1-4-2-9(3-8-4)14(12,13)15/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,15)/t5-/m0/s1
Definition date:	2007-09-28
Last modified:	2024-09-27
Identifier:	1-thiophosphono-L-histidine

REC

REC
Name:	CEPHALOSPORIN
Formula:	C15 H21 N3 O7 S
SMILES:	O=C(O)C(N)CCCCC(=O)NC(C(=O)O)C1N=C(C(=C)CS1)C(=O)O
InChi:	InChI=1S/C15H21N3O7S/c1-7-6-26-12(18-10(7)14(22)23)11(15(24)25)17-9(19)5-3-2-4-8(16)13(20)21/h8,11-12H,1-6,16H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/t8-,11+,12-/m1/s1
Synonyms:	(2R)-2-[(R)-{[(6R)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxy lic acid
Definition date:	2007-11-14
Last modified:	2024-09-27
Identifier:	(2R)-2-[(R)-{[(6R)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

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