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ODC

ODC
Name:	2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide
Formula:	C19 H26 Cl2 N2 O3
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)CCl)CC2
InChi:	InChI=1S/C19H26Cl2N2O3/c1-19(2,26-16-5-3-15(21)4-6-16)18(25)23-11-8-14(9-12-23)7-10-22-17(24)13-20/h3-6,14H,7-13H2,1-2H3,(H,22,24)
Definition date:	2022-09-05
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide

1G6

1G6
Name:	N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form
Formula:	C37 H50 N8 O5 S
SMILES:	NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(CN)cc2)NC(=O)C(Cc2ccccc2)N=[N+]=[N-])cc1
InChi:	InChI=1S/C37H50N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-16,25,31-34H,17-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/t31-,32+,33-,34+/m1/s1
Definition date:	2013-01-22
Last modified:	2024-09-27
Release date:	2013-01-25
Identifier:	4-(aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide

PM3

PM3
Name:	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID
Formula:	C10 H14 N O5 P
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O
InChi:	InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1
Definition date:	2006-05-03
Last modified:	2024-09-27
Identifier:	4-(phosphonomethyl)-L-phenylalanine

PN2

PN2
Name:	4'-(3-AMINOPROPIONIC) PHOSPHOPANTETHEINE
Formula:	C14 H26 N3 O8 P S
SMILES:	O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OCC(=C=O)/N
InChi:	InChI=1S/C14H26N3O8PS/c1-14(2,9-25-26(22,23)24-8-10(15)7-18)12(20)13(21)17-4-3-11(19)16-5-6-27/h12,20,27H,3-6,8-9,15H2,1-2H3,(H,16,19)(H,17,21)(H,22,23)/t12-/m0/s1
Synonyms:	2-AMINO-3-(HYDROXY-(3-HYDROXY-3-[2-(MERCAPTO-ETHYLCARBAMOYL]-2,2-DIMETHYL-PROPOXY-PHOSPHORYLOXY)-PROPIONIC ACID
Definition date:	2000-07-13
Last modified:	2024-09-27
Identifier:	N~3~-[(2R)-4-{[(S)-[(2-amino-3-oxoprop-2-en-1-yl)oxy](hydroxy)phosphoryl]oxy}-2-hydroxy-3,3-dimethylbutanoyl]-N-(2-sulfanylethyl)-beta-alaninamide

PNS

PNS
Name:	4'-PHOSPHOPANTETHEINE
Formula:	C11 H23 N2 O7 P S
SMILES:	O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChi:	InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide

1IC

1IC
Name:	O-octanoyl-D-serine
Formula:	C11 H21 N O4
SMILES:	OC(=O)C(N)COC(=O)CCCCCCC
InChi:	InChI=1S/C11H21NO4/c1-2-3-4-5-6-7-10(13)16-8-9(12)11(14)15/h9H,2-8,12H2,1H3,(H,14,15)/t9-/m1/s1
Definition date:	2021-06-22
Last modified:	2024-09-27
Release date:	2021-12-15
Identifier:	O-octanoyl-D-serine

PNY

PNY
Name:	(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
Formula:	C11 H22 N2 O4 S
SMILES:	O=C(NCCS)CCNC(=O)C(O)C(C)(C)CO
InChi:	InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1
Synonyms:	pantetheine
Definition date:	2010-07-06
Last modified:	2024-09-27
Identifier:	(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide

GCG

GCG
Name:	BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE
Formula:	C27 H49 N9 O10 S2
SMILES:	O=C(NCC(=O)NCCCNCCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CS)C(NC(=O)CCC(C(=O)O)N)CS
InChi:	InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1
Synonyms:	TRYPANOTHIONE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S,7R,26R,31S)-2,31-diamino-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid (non-preferred name)

POL

POL
Name:	N-PROPANOL
Formula:	C3 H8 O
SMILES:	OCCC
InChi:	InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
Synonyms:	1-PROPONOL
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	propan-1-ol

POS

POS
Name:	1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL
Formula:	C27 H32 N4 O6 S
SMILES:	O=C(NC(C(=O)NCC(O)CNS(=O)(=O)c2ccc(Oc1ccccc1)cc2)CC(C)C)c3ccncc3
InChi:	InChI=1S/C27H32N4O6S/c1-19(2)16-25(31-26(33)20-12-14-28-15-13-20)27(34)29-17-21(32)18-30-38(35,36)24-10-8-23(9-11-24)37-22-6-4-3-5-7-22/h3-15,19,21,25,30,32H,16-18H2,1-2H3,(H,29,34)(H,31,33)/t21-,25+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-[(2R)-2-hydroxy-3-{[(4-phenoxyphenyl)sulfonyl]amino}propyl]-N~2~-(pyridin-4-ylcarbonyl)-L-leucinamide

GDI

GDI
Name:	(2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE
Formula:	C22 H24 N4 O
SMILES:	O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3NCCCC3
InChi:	InChI=1S/C22H24N4O/c23-14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)13-20(15-24)26-22(27)21-3-1-2-12-25-21/h4-11,15,20-21,24-25H,1-3,12-13H2,(H,26,27)/b24-15+/t20-,21-/m0/s1
Definition date:	2013-10-31
Last modified:	2024-09-27
Release date:	2014-03-19
Identifier:	(2S)-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]piperidine-2-carboxamide

PPB

PPB
Name:	1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID
Formula:	C23 H27 B N4 O4
SMILES:	O=C(NC(B(O)O)Cc1cccc(C#N)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:	InChI=1S/C23H27BN4O4/c25-15-18-9-4-8-17(12-18)14-21(24(31)32)27-22(29)20-10-5-11-28(20)23(30)19(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19-21,31-32H,5,10-11,13-14,26H2,(H,27,29)/t19-,20+,21+/m1/s1
Synonyms:	(D)PHE-PRO-BOROPHE(M-CN)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	D-phenylalanyl-N-[(1R)-2-(3-cyanophenyl)-1-(dihydroxyboranyl)ethyl]-L-prolinamide

PPI

PPI
Name:	PROPANOIC ACID
Formula:	C3 H6 O2
SMILES:	O=C(O)CC
InChi:	InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	propanoic acid

GDS

GDS
Name:	OXIDIZED GLUTATHIONE DISULFIDE
Formula:	C20 H32 N6 O12 S2
SMILES:	O=C(NC(C(=O)NCC(=O)O)CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N
InChi:	InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S,2'S)-5,5'-[disulfanediylbis({(2R)-3-[(carboxymethyl)amino]-3-oxopropane-1,2-diyl}imino)]bis(2-amino-5-oxopentanoic acid) (non-preferred name)

PPN

PPN
Name:	PARA-NITROPHENYLALANINE
Formula:	C9 H10 N2 O4
SMILES:	[O-][N+](=O)c1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-nitro-L-phenylalanine

GE8

GE8
Name:	2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide
Formula:	C13 H18 Cl N O2 S
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCS
InChi:	InChI=1S/C13H18ClNO2S/c1-13(2,12(16)15-8-3-9-18)17-11-6-4-10(14)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H,15,16)
Definition date:	2018-09-13
Last modified:	2024-09-27
Release date:	2019-02-27
Identifier:	2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide

GEB

GEB
Name:	3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal
Formula:	C10 H18 N2 O2
SMILES:	O=CCCN1CCN(CCC=O)CC1
InChi:	InChI=1S/C10H18N2O2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h9-10H,1-8H2
Definition date:	2018-09-13
Last modified:	2024-09-27
Release date:	2019-02-06
Identifier:	3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal

GEH

GEH
Name:	2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H16 Cl N O2 S
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCS
InChi:	InChI=1S/C12H16ClNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)
Definition date:	2018-09-13
Last modified:	2024-09-27
Release date:	2019-02-27
Identifier:	2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide

PQI

PQI
Name:	1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
Formula:	C23 H25 Cl N4 O2
SMILES:	CCC(=O)N1CCN2Cc3ccc(c(Cl)c3OC[CH]2C1)c4c(C)ccc5n[nH]cc45
InChi:	InChI=1S/C23H25ClN4O2/c1-3-20(29)28-9-8-27-11-15-5-6-17(22(24)23(15)30-13-16(27)12-28)21-14(2)4-7-19-18(21)10-25-26-19/h4-7,10,16H,3,8-9,11-13H2,1-2H3,(H,25,26)/t16-/m0/s1
Definition date:	2022-10-04
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one

PR3

PR3
Name:	S,S-PROPYLTHIOCYSTEINE
Formula:	C6 H13 N O S2
SMILES:	O=CC(N)CSSCCC
InChi:	InChI=1S/C6H13NOS2/c1-2-3-9-10-5-6(7)4-8/h4,6H,2-3,5,7H2,1H3/t6-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2-amino-3-(propyldisulfanyl)propanal

PR6

PR6
Name:	3-chloro-3-oxopropanoic acid
Formula:	C3 H3 Cl O3
SMILES:	ClC(=O)CC(=O)O
InChi:	InChI=1S/C3H3ClO3/c4-2(5)1-3(6)7/h1H2,(H,6,7)
Definition date:	2010-05-13
Last modified:	2024-09-27
Identifier:	3-chloro-3-oxopropanoic acid

PRA

PRA
Name:	3-PHENYLPROPYLAMINE
Formula:	C9 H13 N
SMILES:	C(CCc1ccccc1)N
InChi:	InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-phenylpropan-1-amine

GFT

GFT
Name:	(2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid
Formula:	C10 H20 N O5 P
SMILES:	O=C(O)C(N)COP(=O)(OC1CCCCC1)C
InChi:	InChI=1S/C10H20NO5P/c1-17(14,15-7-9(11)10(12)13)16-8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-,17-/m0/s1
Synonyms:	Cyclosarin bound Serine
Definition date:	2013-02-04
Last modified:	2024-09-27
Release date:	2013-03-27
Identifier:	O-[(S)-(cyclohexyloxy)(methyl)phosphoryl]-L-serine

PRK

PRK
Name:	N~6~-propanoyl-L-lysine
Formula:	C9 H18 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(=O)CC
InChi:	InChI=1S/C9H18N2O3/c1-2-8(12)11-6-4-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
Synonyms:	N(6)-Propionyllysine
Definition date:	2010-05-12
Last modified:	2024-09-27
Identifier:	N~6~-propanoyl-L-lysine

PRQ

PRQ
Name:	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid
Formula:	C9 H10 N2 O4
SMILES:	[O-][N+](=O)c1ccccc1C(N)CC(=O)O
InChi:	InChI=1S/C9H10N2O4/c10-7(5-9(12)13)6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2007-10-17
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid

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