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3HD

3HD
Name:	1,5-anhydro-3-O-methyl-D-mannitol
Formula:	C7 H14 O5
SMILES:	O(C)C1C(O)C(OCC1O)CO
InChi:	InChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
Synonyms:	3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL
Definition date:	2006-06-30
Last modified:	2024-09-27
Identifier:	1,5-anhydro-3-O-methyl-D-mannitol

PCM

PCM
Name:	1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N
Formula:	C32 H42 N4 O7
SMILES:	O=C(N2CC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C2)C(NC(=O)OCc3ccccc3)CC(C)C
InChi:	InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N~2~-[(benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxopyrrolidin-3-yl]-L-leucinamide

PCS

PCS
Name:	PHENYLALANYLMETHYLCHLORIDE
Formula:	C10 H12 Cl N O
SMILES:	ClCC(=O)C(N)Cc1ccccc1
InChi:	InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1
Definition date:	2000-04-05
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-1-chloro-4-phenylbutan-2-one

3IB

3IB
Name:	3-INDOLEBUTYRIC ACID
Formula:	C12 H13 N O2
SMILES:	O=C(O)CCCc2c1ccccc1nc2
InChi:	InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-(1H-indol-3-yl)butanoic acid

PDM

PDM
Name:	4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
Formula:	C14 H16 N2 O5
SMILES:	O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O
InChi:	InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1
Synonyms:	PARA-PHENYL DIMALEMIDE
Definition date:	2002-02-06
Last modified:	2024-09-27
Identifier:	(4S)-4-{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino}-4-hydroxybutanoic acid

3IS

3IS
Name:	5-chloranyl-1,3-dihydroindol-2-one
Formula:	C8 H6 Cl N O
SMILES:	Clc1ccc2NC(=O)Cc2c1
InChi:	InChI=1S/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
Definition date:	2020-05-05
Last modified:	2024-09-27
Release date:	2021-05-12
Identifier:	5-chloranyl-1,3-dihydroindol-2-one

PEA

PEA
Name:	2-PHENYLETHYLAMINE
Formula:	C8 H12 N
SMILES:	c1ccccc1CC[NH3+]
InChi:	InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-phenylethanaminium

PEE

PEE
Name:	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
Formula:	C41 H78 N O8 P
SMILES:	NCCOP(O)(=O)OCC(COC(=O)CCCCCCC/C=CCCCCCCCC)OC(=O)CCCCCCC/C=CCCCCCCCC
InChi:	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
Synonyms:	DOPE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (9Z)-octadec-9-enoate

PEL

PEL
Name:	2-PHENYL-ETHANOL
Formula:	C8 H10 O
SMILES:	OCCc1ccccc1
InChi:	InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Definition date:	2000-06-13
Last modified:	2024-09-27
Identifier:	2-phenylethanol

PEO

PEO
Name:	HYDROGEN PEROXIDE
Formula:	H2 O2
SMILES:	OO
InChi:	InChI=1S/H2O2/c1-2/h1-2H
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	hydrogen peroxide

PEX

PEX
Name:	1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Formula:	C25 H49 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCCN)CCCCCCCCC
InChi:	InChI=1S/C25H50NO8P/c1-3-5-7-9-11-13-15-17-24(27)31-21-23(22-33-35(29,30)32-20-19-26)34-25(28)18-16-14-12-10-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/p-1/t23-/m1/s1
Definition date:	2004-08-02
Last modified:	2024-09-27
Identifier:	2-aminoethyl (2R)-2,3-bis(decanoyloxy)propyl phosphate

PF7

PF7
Name:	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
Formula:	C16 H18 N2 O2
SMILES:	O=C(O)N3CCC(Cc1cc2ccccc2nc1)CC3
InChi:	InChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20)
Definition date:	2008-07-22
Last modified:	2024-09-27
Identifier:	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid

PFF

PFF
Name:	4-FLUORO-L-PHENYLALANINE
Formula:	C9 H10 F N O2
SMILES:	Fc1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2003-07-30
Last modified:	2024-09-27
Identifier:	4-fluoro-L-phenylalanine

3KI

3KI
Name:	(6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
Formula:	C16 H20 O4
SMILES:	O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C
InChi:	InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15-/m1/s1
Definition date:	2021-07-20
Last modified:	2024-09-27
Release date:	2022-07-27
Identifier:	(6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid

PFV

PFV
Name:	(6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid
Formula:	C20 H26 N8 O12 S2
SMILES:	O=C1C=C(N(O)C=C1O)CNC(=O)NCC(NS(=O)(=O)O)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c2nc(sc2)N
InChi:	InChI=1S/C20H26N8O12S2/c1-20(2,17(33)34)40-26-15(12-8-41-18(21)25-12)16(32)24-11(7-29)10(27-42(37,38)39)5-23-19(35)22-4-9-3-13(30)14(31)6-28(9)36/h3,6-8,10-11,27,31,36H,4-5H2,1-2H3,(H2,21,25)(H,24,32)(H,33,34)(H2,22,23,35)(H,37,38,39)/b26-15-/t10-,11-/m1/s1
Definition date:	2013-07-23
Last modified:	2024-09-27
Release date:	2013-08-21
Identifier:	(6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid

PFX

PFX
Name:	2-[2-(2-azanylethoxy)ethoxy]ethanoic acid
Formula:	C6 H13 N O4
SMILES:	NCCOCCOCC(O)=O
InChi:	InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)
Definition date:	2008-10-17
Last modified:	2024-09-27
Identifier:	2-[2-(2-azanylethoxy)ethoxy]ethanoic acid

PG9

PG9
Name:	D-PHENYLGLYCINE
Formula:	C8 H9 N O2
SMILES:	O=C(O)C(N)c1ccccc1
InChi:	InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1
Definition date:	2005-10-07
Last modified:	2024-09-27
Identifier:	(2R)-amino(phenyl)ethanoic acid

3LB

3LB
Name:	(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
Formula:	C27 H34 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C=1N=CC(O)C(=O)C=1)S(=O)(=O)NC(=O)NC(CC=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C27H34N10O13S3/c1-5-7-14(16(12-38)30-22(41)20(17-13-51-24(28)31-17)34-50-27(2,3)23(42)43)32-25(44)35-53(48,49)37-26(45)36(8-6-9-52(4,46)47)21(33-37)15-10-18(39)19(40)11-29-15/h5,10-14,16,19,40H,1,6-9H2,2-4H3,(H2,28,31)(H,30,41)(H,42,43)(H2,32,35,44)/b34-20-/t14-,16-,19-/m1/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2015-04-22
Identifier:	(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

3LC

3LC
Name:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
Formula:	C26 H32 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C26H32N10O13S3/c1-5-13(15(11-37)29-21(40)19(16-12-50-23(27)30-16)33-49-26(2,3)22(41)42)31-24(43)34-52(47,48)36-25(44)35(7-6-8-51(4,45)46)20(32-36)14-9-17(38)18(39)10-28-14/h5,10-13,15,39H,1,6-9H2,2-4H3,(H2,27,30)(H,29,40)(H,41,42)(H2,31,34,43)/b33-19-/t13-,15+/m0/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2015-04-22
Identifier:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

3LE

3LE
Name:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
Formula:	C25 H32 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C25H32N10O13S3/c1-12(14(10-36)29-20(39)18(15-11-49-22(26)30-15)32-48-25(2,3)21(40)41)28-23(42)33-51(46,47)35-24(43)34(6-5-7-50(4,44)45)19(31-35)13-8-16(37)17(38)9-27-13/h9-12,14,38H,5-8H2,1-4H3,(H2,26,30)(H,29,39)(H,40,41)(H2,28,33,42)/b32-18-/t12-,14+/m0/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2015-04-22
Identifier:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

3LH

3LH
Name:	N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
Formula:	C25 H21 N5 O2
SMILES:	O=C(Nc1c(ccc(c1)N3c2c5c(ncc2C=CC3=O)ccc(c4cnnc4)c5)C)CC
InChi:	InChI=1S/C25H21N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h4-14H,3H2,1-2H3,(H,27,28)(H,29,31)
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2016-05-04
Identifier:	N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide

PGN

PGN
Name:	2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATE
Formula:	C10 H15 N5 O10 P2
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)COP(=O)(O)O
InChi:	InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)/t4-,5+,6+/m0/s1
Definition date:	2001-07-02
Last modified:	2024-09-27
Identifier:	2'-deoxyguanosine 3',5'-bis(dihydrogen phosphate)

3LX

3LX
Name:	tridecanethial
Formula:	C13 H26 S
SMILES:	S=CCCCCCCCCCCCC
InChi:	InChI=1S/C13H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
Definition date:	2014-09-20
Last modified:	2024-09-27
Release date:	2015-03-11
Identifier:	tridecanethial

PH6

PH6
Name:	(4S)-4-cyclohexyl-L-proline
Formula:	C11 H19 N O2
SMILES:	O=C(O)C2NCC(C1CCCCC1)C2
InChi:	InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
Definition date:	2015-02-06
Last modified:	2024-09-27
Release date:	2015-06-03
Identifier:	(4S)-4-cyclohexyl-L-proline

PH8

PH8
Name:	5-phenyl-L-norvaline
Formula:	C11 H15 N O2
SMILES:	C(O)(=O)C(N)CCCc1ccccc1
InChi:	InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m0/s1
Definition date:	2015-03-10
Last modified:	2024-09-27
Release date:	2015-04-15
Identifier:	5-phenyl-L-norvaline

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