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P8U

P8U
Name:	[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C24 H42 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C24H40N3O8S/c1-14(2)10-19(27-24(31)35-13-17-11-18(17)15-6-4-3-5-7-15)22(29)26-20(23(30)36(32,33)34)12-16-8-9-25-21(16)28/h14-20,23,30H,3-13H2,1-2H3,(H3-2,25,26,27,28,29,31,32,33,34)/q-1/p+2/t16-,17+,18+,19-,20-,23-/m0/s1
Definition date:	2022-05-26
Last modified:	2024-09-27
Release date:	2022-06-22
Identifier:	[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

3DS

3DS
Name:	(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
Formula:	C7 H8 O5
SMILES:	O=C1C=C(C(=O)O)CC(O)C1O
InChi:	InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1
Synonyms:	3-dehydroshikimate
Definition date:	2010-05-27
Last modified:	2024-09-27
Identifier:	(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid

3E5

3E5
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide
Formula:	C35 H52 N4 O6
SMILES:	O=C(Nc1ccc(cc1C)C)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C35H52N4O6/c1-21(2)16-28(31(40)34(43)36-27-15-14-24(7)19-25(27)8)37-32(41)29(17-22(3)4)38-33(42)30(18-23(5)6)39-35(44)45-20-26-12-10-9-11-13-26/h9-15,19,21-23,28-31,40H,16-18,20H2,1-8H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t28-,29-,30-,31-/m0/s1
Definition date:	2014-08-05
Last modified:	2024-09-27
Release date:	2014-08-13
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide

P9F

P9F
Name:	(2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
Formula:	C25 H29 Cl N2 O5
SMILES:	OC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC2CCCCC2)NC(=O)Oc3ccc(Cl)cc3
InChi:	InChI=1S/C25H29ClN2O5/c26-19-11-13-20(14-12-19)33-25(32)28-21(15-17-7-3-1-4-8-17)23(29)27-22(24(30)31)16-18-9-5-2-6-10-18/h2,5-6,9-14,17,21-22H,1,3-4,7-8,15-16H2,(H,27,29)(H,28,32)(H,30,31)/t21-,22-/m0/s1
Synonyms:	(2~{S})-2-[[(2~{S})-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
Definition date:	2022-10-04
Last modified:	2024-09-27
Release date:	2023-10-04
Identifier:	(2~{S})-2-[[(2~{S})-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid

P9Q

P9Q
Name:	(1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
Formula:	C15 H32 N2 O4
SMILES:	NCCCCCCCCN[CH]1C[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C15H32N2O4/c16-7-5-3-1-2-4-6-8-17-12-9-13(19)15(21)14(20)11(12)10-18/h11-15,17-21H,1-10,16H2/t11-,12+,13-,14+,15+/m0/s1
Definition date:	2020-04-20
Last modified:	2024-09-27
Release date:	2021-02-24
Identifier:	(1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol

P9R

P9R
Name:	[(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C25 H42 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CC=NC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C25H40N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h9,15-21,24,31H,3-8,10-14H2,1-2H3,(H2-2,27,28,30,32,33,34,35)/q-1/p+2/t17-,18-,19+,20-,21-,24+/m0/s1
Definition date:	2022-05-26
Last modified:	2024-09-27
Release date:	2022-06-22
Identifier:	[(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

P9S

P9S
Name:	dihydroxypropylcysteine
Formula:	C6 H13 N O4 S
SMILES:	N[CH](CSC[CH](O)CO)C(O)=O
InChi:	InChI=1S/C6H13NO4S/c7-5(6(10)11)3-12-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)/t4-,5+/m1/s1
Definition date:	2016-07-26
Last modified:	2024-09-27
Release date:	2017-03-22
Identifier:	(2~{R})-2-azanyl-3-[(2~{R})-2,3-bis(oxidanyl)propyl]sulfanyl-propanoic acid

P9U

P9U
Name:	(2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
Formula:	C41 H44 Cl N3 O6
SMILES:	OC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC2CCCCC2)NC(=O)Oc3ccc(NC(=O)C(Cc4ccccc4)Cc5ccccc5)c(Cl)c3
InChi:	InChI=1S/C41H44ClN3O6/c42-34-27-33(21-22-35(34)43-38(46)32(23-28-13-5-1-6-14-28)24-29-15-7-2-8-16-29)51-41(50)45-36(25-30-17-9-3-10-18-30)39(47)44-37(40(48)49)26-31-19-11-4-12-20-31/h1-2,4-8,11-16,19-22,27,30,32,36-37H,3,9-10,17-18,23-26H2,(H,43,46)(H,44,47)(H,45,50)(H,48,49)/t36-,37-/m0/s1
Synonyms:	(2~{S})-2-[[(2~{S})-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
Definition date:	2022-10-04
Last modified:	2024-09-27
Release date:	2023-10-04
Identifier:	(2~{S})-2-[[(2~{S})-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid

PAC

PAC
Name:	2-PHENYLACETIC ACID
Formula:	C8 H8 O2
SMILES:	O=C(O)Cc1ccccc1
InChi:	InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	phenylacetic acid

3F7

3F7
Name:	1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)
Formula:	C14 H8 N2 O4
SMILES:	O=C3C=CC(=O)N3c1ccc(cc1)N2C(=O)C=CC2=O
InChi:	InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
Definition date:	2014-08-06
Last modified:	2024-09-27
Release date:	2014-12-10
Identifier:	1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)

3F8

3F8
Name:	1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione)
Formula:	C14 H16 N2 O6
SMILES:	O=C1C=CC(=O)N1CCOCCOCCN2C(=O)C=CC2=O
InChi:	InChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2
Definition date:	2014-08-07
Last modified:	2024-09-27
Release date:	2014-12-10
Identifier:	1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione)

3FB

3FB
Name:	(3S)-3-AMINO-4-PHENYLBUTANOIC ACID
Formula:	C10 H13 N O2
SMILES:	O=C(O)CC(N)Cc1ccccc1
InChi:	InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
Definition date:	2002-08-05
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-4-phenylbutanoic acid

PAQ

PAQ
Name:	2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE
Formula:	C14 H16 N4 O4
SMILES:	O=C(O)C(N)CC2C=C(NNc1ncccc1)C(O)=CC2=O
InChi:	InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-[(1R)-4-hydroxy-6-oxo-3-(2-pyridin-2-ylhydrazino)cyclohexa-2,4-dien-1-yl]-L-alanine

3FG

3FG
Name:	(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid
Formula:	C8 H9 N O4
SMILES:	O=C(O)C(c1cc(O)cc(O)c1)N
InChi:	InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
Definition date:	2009-03-27
Last modified:	2024-09-27
Identifier:	(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid

PAT

PAT
Name:	ALPHA-PHOSPHONO-TRYPTOPHAN
Formula:	C11 H13 N2 O5 P
SMILES:	O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18)
Definition date:	2001-03-12
Last modified:	2024-09-27
Identifier:	alpha-phosphono-L-tryptophan

3FO

3FO
Name:	N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide
Formula:	C22 H26 Cl N5 O5 S
SMILES:	Clc1cc(ccc1)C(NS(=O)(=O)C)C(=O)NC(C(=O)NCC(=O)NCC=[N@H])Cc2ccccc2
InChi:	InChI=1S/C22H26ClN5O5S/c1-34(32,33)28-20(16-8-5-9-17(23)13-16)22(31)27-18(12-15-6-3-2-4-7-15)21(30)26-14-19(29)25-11-10-24/h2-10,13,18,20,24,28H,11-12,14H2,1H3,(H,25,29)(H,26,30)(H,27,31)/b24-10-/t18-,20-/m0/s1
Definition date:	2014-08-11
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide

3FS

3FS
Name:	N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide
Formula:	C16 H20 Cl2 N4 O4
SMILES:	Clc1cc(cc(Cl)c1)CC(=O)NC(C(=O)NCC(=O)NCC=[N@H])C(O)C
InChi:	InChI=1S/C16H20Cl2N4O4/c1-9(23)15(16(26)21-8-14(25)20-3-2-19)22-13(24)6-10-4-11(17)7-12(18)5-10/h2,4-5,7,9,15,19,23H,3,6,8H2,1H3,(H,20,25)(H,21,26)(H,22,24)/b19-2-/t9-,15+/m1/s1
Definition date:	2014-08-11
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide

3FU

3FU
Name:	N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide
Formula:	C22 H28 Cl2 N6 O2
SMILES:	Clc1cc(cc(Cl)c1)C(N(C)C)C(=O)NC(C(=O)NCc2nc(ncc2)C=[N@H])C(C)CC
InChi:	InChI=1S/C22H28Cl2N6O2/c1-5-13(2)19(21(31)27-12-17-6-7-26-18(11-25)28-17)29-22(32)20(30(3)4)14-8-15(23)10-16(24)9-14/h6-11,13,19-20,25H,5,12H2,1-4H3,(H,27,31)(H,29,32)/b25-11-/t13-,19-,20+/m0/s1
Definition date:	2014-08-11
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide

PBA

PBA
Name:	PHENYLETHANE BORONIC ACID
Formula:	C8 H11 B O2
SMILES:	OB(O)CCc1ccccc1
InChi:	InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2-phenylethyl)boronic acid

PBC

PBC
Name:	PHENYL BORONIC ACID
Formula:	C6 H7 B O2
SMILES:	OB(O)c1ccccc1
InChi:	InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
Definition date:	2001-08-29
Last modified:	2024-09-27
Identifier:	phenylboronic acid

PBF

PBF
Name:	PARA-(BENZOYL)-PHENYLALANINE
Formula:	C16 H15 N O3
SMILES:	O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2
InChi:	InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
Definition date:	2000-02-22
Last modified:	2024-09-27
Identifier:	4-(phenylcarbonyl)-L-phenylalanine

3GE

3GE
Name:	N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
Formula:	C9 H15 N O6 S
SMILES:	O=S(O)C(C)(C)C(NC=C(/CO)C=O)C(=O)O
InChi:	InChI=1S/C9H15NO6S/c1-9(2,17(15)16)7(8(13)14)10-3-6(4-11)5-12/h3-4,7,10,12H,5H2,1-2H3,(H,13,14)(H,15,16)/b6-3-/t7-/m0/s1
Definition date:	2014-08-15
Last modified:	2024-09-27
Release date:	2015-01-21
Identifier:	N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine

PBP

PBP
Name:	p-Bromophenacyl bromide
Formula:	C8 H6 Br2 O
SMILES:	C(C(c1ccc(cc1)Br)=O)Br
InChi:	InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-bromo-1-(4-bromophenyl)ethan-1-one

PBW

PBW
Name:	(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
Formula:	C7 H14 O6
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4+,5+,6-,7-
Definition date:	2020-04-20
Last modified:	2024-09-27
Release date:	2021-04-28
Identifier:	(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol

PCG

PCG
Name:	CYCLIC GUANOSINE MONOPHOSPHATE
Formula:	C10 H12 N5 O7 P
SMILES:	O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N
InChi:	InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one

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