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LYJ

LYJ
Name:	(2S)-2,6-diaminohexan-1-ol
Formula:	C6 H16 N2 O
SMILES:	OCC(N)CCCCN
InChi:	InChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1
Definition date:	2012-01-18
Last modified:	2024-09-27
Identifier:	(2S)-2,6-diaminohexan-1-ol

4AY

4AY
Name:	4-(bromomethyl)benzoic acid
Formula:	C8 H7 Br O2
SMILES:	BrCc1ccc(C(=O)O)cc1
InChi:	InChI=1S/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
Definition date:	2015-02-21
Last modified:	2024-09-27
Release date:	2016-03-02
Identifier:	4-(bromomethyl)benzoic acid

VA1

VA1
Name:	{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID
Formula:	C11 H10 B N O4 S
SMILES:	O=CN(C=O)Cc2cc1c(sc(c1)B(O)O)cc2
InChi:	InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2
Synonyms:	5-DIFORMYLAMINOMETHYL-BENZO[B]THIOPHEN-2-BORONIC ACID
Definition date:	2006-09-01
Last modified:	2024-09-27
Identifier:	{5-[(diformylamino)methyl]-1-benzothiophen-2-yl}boronic acid

YVM

YVM
Name:	4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Formula:	C35 H43 F N4 O7
SMILES:	Fc1ccc(cc1)CC(NC(=O)CCOCC#C)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC
InChi:	InChI=1S/C35H43FN4O7/c1-3-19-46-20-17-31(41)39-29(22-25-10-12-27(36)13-11-25)35(45)40-30(21-24-8-6-5-7-9-24)34(44)38-28(14-15-32(42)47-4-2)23-26-16-18-37-33(26)43/h1,5-13,26,28-30H,4,14-23H2,2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,45)/t26-,28+,29+,30-/m0/s1
Definition date:	2021-04-01
Last modified:	2024-09-27
Release date:	2022-10-12
Identifier:	4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide

Y4V

Y4V
Name:	(1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C25 H41 N3 O8 S
SMILES:	C(NC(C(NC(CC1C(=O)NCC1)CO)=O)CC(C)C)(=O)OCC24CC3CC(CC(C2)C3)C4
InChi:	InChI=1S/C25H41N3O8S/c1-14(2)5-19(22(30)27-20(23(31)37(33,34)35)9-18-3-4-26-21(18)29)28-24(32)36-13-25-10-15-6-16(11-25)8-17(7-15)12-25/h14-20,23,31H,3-13H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,16+,17-,18-,19-,20-,23+,25-/m0/s1
Definition date:	2021-02-03
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methoxy}carbonyl)-L-leucinamide

LYK

LYK
Name:	(2S)-2,6-diaminohexane-1,1-diol
Formula:	C6 H16 N2 O2
SMILES:	OC(O)C(N)CCCCN
InChi:	InChI=1S/C6H16N2O2/c7-4-2-1-3-5(8)6(9)10/h5-6,9-10H,1-4,7-8H2/t5-/m0/s1
Definition date:	2010-10-08
Last modified:	2024-09-27
Identifier:	(2S)-2,6-diaminohexane-1,1-diol

OEW

OEW
Name:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C30 H43 N5 O7
SMILES:	CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CCCCC2)C(=O)N[CH](C[CH]3CC=NC3=O)[CH](O)C(=O)NC4CC4)C1=O
InChi:	InChI=1S/C30H43N5O7/c1-30(2,3)42-29(41)34-21-10-7-15-35(28(21)40)23(16-18-8-5-4-6-9-18)26(38)33-22(17-19-13-14-31-25(19)37)24(36)27(39)32-20-11-12-20/h7,10,14-15,18-20,22-24,36H,4-6,8-9,11-13,16-17H2,1-3H3,(H,32,39)(H,33,38)(H,34,41)/t19-,22-,23-,24+/m0/s1
Synonyms:	Tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
Definition date:	2020-03-02
Last modified:	2024-09-27
Release date:	2020-03-18
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

S1Y

S1Y
Name:	[(2S,3R)-1-{[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid
Formula:	C14 H27 N5 O5 S
SMILES:	O=S(=O)(O)NC2C(C=O)N(C(=O)NC1CCCN(CCN)CC1)CC2
InChi:	InChI=1S/C14H27N5O5S/c15-5-9-18-6-1-2-11(3-7-18)16-14(21)19-8-4-12(13(19)10-20)17-25(22,23)24/h10-13,17H,1-9,15H2,(H,16,21)(H,22,23,24)/t11-,12+,13+/m0/s1
Definition date:	2011-05-17
Last modified:	2024-09-27
Identifier:	[(2S,3R)-1-{[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid

ZZU

ZZU
Name:	(2S,3S)-3-HYDROXYARGININE
Formula:	C6 H14 N4 O3
SMILES:	O=C(O)C(N)C(O)CCNC(=[N@H])N
InChi:	InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1
Definition date:	2009-03-02
Last modified:	2024-09-27
Identifier:	(2S,3S)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name)

PND

PND
Name:	P-NITROPHENYLHYDRAZINE
Formula:	C6 H7 N3 O2
SMILES:	[O-][N+](=O)c1ccc(NN)cc1
InChi:	InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2
Definition date:	2001-07-27
Last modified:	2024-09-27
Identifier:	(4-nitrophenyl)hydrazine

SHF

SHF
Name:	LAEVULINIC ACID
Formula:	C5 H8 O3
SMILES:	O=C(C)CCC(=O)O
InChi:	InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
Synonyms:	LEVULINIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-oxopentanoic acid

WZJ

WZJ
Name:	N-methyl-L-alloisoleucine
Formula:	C7 H15 N O2
SMILES:	N(C)C(C(=O)O)C(C)CC
InChi:	InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6+/m1/s1
Definition date:	2020-11-19
Last modified:	2024-09-27
Release date:	2020-12-30
Identifier:	N-methyl-L-alloisoleucine

SHG

SHG
Name:	2-deoxy-2-fluoro-beta-D-glucopyranose
Formula:	C6 H11 F O5
SMILES:	FC1C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	2-deoxy-2-fluoro-beta-D-glucose
Definition date:	2009-01-17
Last modified:	2024-09-27
Identifier:	2-deoxy-2-fluoro-beta-D-glucopyranose

ZJU

ZJU
Name:	N-SUCCINYL-ASPARTIC ACID
Formula:	C8 H11 N O7
SMILES:	OC(=O)CCC(=O)N[CH](CC(O)=O)C(O)=O
InChi:	InChI=1S/C8H11NO7/c10-5(1-2-6(11)12)9-4(8(15)16)3-7(13)14/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t4-/m0/s1
Synonyms:	2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid
Definition date:	2024-01-22
Last modified:	2024-09-27
Release date:	2024-04-24
Identifier:	2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid

YVP

YVP
Name:	N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide
Formula:	C31 H40 N6 O5
SMILES:	CC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCOCC#C)Cc1ccccc1
InChi:	InChI=1S/C31H40N6O5/c1-3-18-42-19-16-28(39)35-26(20-23-11-6-4-7-12-23)29(40)37-27(21-24-13-8-5-9-14-24)30(41)36-25(22(2)38)15-10-17-34-31(32)33/h1,4-9,11-14,25-27H,10,15-21H2,2H3,(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)/t25-,26+,27-/m0/s1
Definition date:	2021-04-01
Last modified:	2024-09-27
Release date:	2022-10-12
Identifier:	N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide

LYN

LYN
Name:	2,6-DIAMINO-HEXANOIC ACID AMIDE
Formula:	C6 H16 N3 O
SMILES:	O=C(N)C(N)CCCC[NH3+]
InChi:	InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/p+1/t5-/m0/s1
Definition date:	2000-11-10
Last modified:	2024-09-27
Identifier:	6-ammonio-L-norleucinamide

SVL

SVL
Name:	1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one
Formula:	C17 H25 Cl N2 O
SMILES:	CC(C)CC1CN(CCN1Cc1cc(Cl)ccc1)C(C)=O
InChi:	InChI=1S/C17H25ClN2O/c1-13(2)9-17-12-19(14(3)21)7-8-20(17)11-15-5-4-6-16(18)10-15/h4-6,10,13,17H,7-9,11-12H2,1-3H3/t17-/m1/s1
Definition date:	2022-07-11
Last modified:	2024-09-27
Release date:	2023-05-17
Identifier:	1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one

LYO

LYO
Name:	4-HYDROXY-LYSINE
Formula:	C6 H14 N2 O3
SMILES:	O=C(O)C(N)CC(O)CCN
InChi:	InChI=1S/C6H14N2O3/c7-2-1-4(9)3-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5-/m0/s1
Definition date:	2011-03-30
Last modified:	2024-09-27
Release date:	2012-10-19
Identifier:	(4S)-4-hydroxy-L-lysine

PNH

PNH
Name:	pentan-2-one
Formula:	C5 H10 O
SMILES:	O=C(C)CCC
InChi:	InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
Definition date:	2007-11-30
Last modified:	2024-09-27
Identifier:	pentan-2-one

SHL

SHL
Name:	5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
Formula:	C7 H6 O5
SMILES:	O=C1C=C(OC(=C1O)C)C(=O)O
InChi:	InChI=1S/C7H6O5/c1-3-6(9)4(8)2-5(12-3)7(10)11/h2,9H,1H3,(H,10,11)
Synonyms:	Comenic acid
Definition date:	2012-09-14
Last modified:	2024-09-27
Release date:	2012-09-21
Identifier:	5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid

VOT

VOT
Name:	(2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide
Formula:	C31 H44 N6 O6
SMILES:	CCc1ccc(NNc2ccc(CC(=O)N[CH]([CH](C)O)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O)cc2)cc1
InChi:	InChI=1S/C31H44N6O6/c1-4-21-6-10-23(11-7-21)36-37-24-12-8-22(9-13-24)17-28(41)35-29(20(3)38)31(43)34-26-18-25(39)15-16-32-27(40)14-5-19(2)33-30(26)42/h6-13,19-20,25-26,29,36-39H,4-5,14-18H2,1-3H3,(H,32,40)(H,33,42)(H,34,43)(H,35,41)/t19-,20+,25-,26-,29-/m0/s1
Definition date:	2023-03-22
Last modified:	2024-09-27
Release date:	2023-12-27
Identifier:	(2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide

Y51

Y51
Name:	(1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C22 H35 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]2C[CH]1C=C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:	InChI=1S/C22H35N3O8S/c1-12(2)7-17(25-22(29)33-11-16-9-13-3-4-14(16)8-13)20(27)24-18(21(28)34(30,31)32)10-15-5-6-23-19(15)26/h3-4,12-18,21,28H,5-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,14+,15-,16+,17-,18-,21+/m0/s1
Definition date:	2021-02-03
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	(2~{S})-2-[[(2~{S})-2-[[(1~{S},2~{S},4~{S})-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid

LYP

LYP
Name:	N~6~-METHYL-N~6~-PROPYL-L-LYSINE
Formula:	C10 H22 N2 O2
SMILES:	O=C(O)C(N)CCCCN(CCC)C
InChi:	InChI=1S/C10H22N2O2/c1-3-7-12(2)8-5-4-6-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
Definition date:	2007-03-28
Last modified:	2024-09-27
Identifier:	N~6~-methyl-N~6~-propyl-L-lysine

KCJ

KCJ
Name:	3-(1,3-thiazol-4-yl)-L-alanine
Formula:	C6 H8 N2 O2 S
SMILES:	c1scnc1CC(C(O)=O)N
InChi:	InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1
Definition date:	2018-11-20
Last modified:	2024-09-27
Release date:	2019-10-02
Identifier:	3-(1,3-thiazol-4-yl)-L-alanine

NZV

NZV
Name:	ceftriaxone, bound form
Formula:	C18 H20 N8 O8 S3
SMILES:	O=C(/C(c1csc(N)n1)=NOC)NC(C(O)=O)C2SCC(=C(N2)C(O)=O)CSC=3N(NC(C(N=3)=O)=O)C
InChi:	InChI=1S/C18H20N8O8S3/c1-26-18(23-12(28)13(29)24-26)37-4-6-3-35-14(22-8(6)15(30)31)10(16(32)33)21-11(27)9(25-34-2)7-5-36-17(19)20-7/h5,10,14,22H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,24,29)(H,30,31)(H,32,33)/b25-9-/t10-,14+/m0/s1
Definition date:	2019-05-30
Last modified:	2024-09-27
Release date:	2019-08-07
Identifier:	(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

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