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A1D5Y

A1D5Y
Name:	(1~{S})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol
Formula:	C19 H24 N2 O S
SMILES:	C[CH](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1
InChi:	InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3/t14-/m0/s1
Definition date:	2024-02-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(1~{S})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol

A1D5Z

A1D5Z
Name:	(1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol
Formula:	C19 H24 N2 O S
SMILES:	C[CH](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1
InChi:	InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3/t14-/m1/s1
Definition date:	2024-02-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol

VPF

VPF
Name:	N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide
Formula:	C22 H32 N3 O8 P
SMILES:	O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2
InChi:	InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18-,20-/m0/s1
Definition date:	2012-02-10
Last modified:	2024-09-27
Release date:	2013-01-18
Identifier:	N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide

Z22

Z22
Name:	S-methyl methanesulfonothioate
Formula:	C2 H6 O2 S2
SMILES:	CS[S](C)(=O)=O
InChi:	InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
Synonyms:	S-Methyl methanethiosulfonate
Definition date:	2009-11-18
Last modified:	2024-09-27
Identifier:	methylsulfanylsulfonylmethane

AR0

AR0
Name:	4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol
Formula:	C14 H25 N5 O3
SMILES:	O=C(O)Cc1cc[n+](cc1)CC(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C14H23N5O3/c15-11(2-1-5-18-14(16)17)12(20)9-19-6-3-10(4-7-19)8-13(21)22/h3-4,6-7,11-12,20H,1-2,5,8-9,15H2,(H4-,16,17,18,21,22)/p+2/t11-,12+/m0/s1
Definition date:	2010-09-17
Last modified:	2024-09-27
Identifier:	4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol

V1A

V1A
Name:	S-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-4-yl) methanesulfonothioate
Formula:	C8 H15 N2 O3 S2
SMILES:	ON1C(C(SS(=O)(=O)C)=NC1(C)C)(C)C
InChi:	InChI=1S/C8H16N2O3S2/c1-7(2)6(14-15(5,12)13)9-8(3,4)10(7)11/h11H,1-5H3
Definition date:	2009-11-09
Last modified:	2024-09-27
Identifier:	S-(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-4-yl) methanesulfonothioate

R1B

R1B
Name:	S-[(1-oxyl-2,2,4,5,5-pentamethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Formula:	C11 H20 N O3 S2
SMILES:	ON1C(C(=C(CSS(=O)(=O)C)C1(C)C)C)(C)C
InChi:	InChI=1S/C11H21NO3S2/c1-8-9(7-16-17(6,14)15)11(4,5)12(13)10(8,2)3/h13H,7H2,1-6H3
Definition date:	2005-06-09
Last modified:	2024-09-27
Identifier:	S-[(1-hydroxy-2,2,4,5,5-pentamethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate

R1F

R1F
Name:	S-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Formula:	C16 H22 N O3 S2
SMILES:	ON1C(C(=C(CSS(=O)(=O)C)C1(C)C)c2ccccc2)(C)C
InChi:	InChI=1S/C16H23NO3S2/c1-15(2)13(11-21-22(5,19)20)14(16(3,4)17(15)18)12-9-7-6-8-10-12/h6-10,18H,11H2,1-5H3
Definition date:	2005-06-03
Last modified:	2024-09-27
Identifier:	S-[(1-hydroxy-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate

PTR

PTR
Name:	O-PHOSPHOTYROSINE
Formula:	C9 H12 N O6 P
SMILES:	O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O
InChi:	InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
Synonyms:	PHOSPHONOTYROSINE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	O-phosphono-L-tyrosine

PUK

PUK
Name:	N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine
Formula:	C18 H22 N2 O2
SMILES:	O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1
Definition date:	2009-02-06
Last modified:	2024-09-27
Identifier:	N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine

LTJ

LTJ
Name:	4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
Formula:	C20 H25 F N4 O2
SMILES:	C3(CCCN(c1c2c(c(cc1F)C(=O)N)nc(C)c2C)C3)NC(C=[C@H]C)=O
InChi:	InChI=1S/C20H25FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h4,6,9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/b6-4+/t13-/m0/s1
Definition date:	2019-03-13
Last modified:	2024-09-27
Release date:	2019-04-03
Identifier:	4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide

VLT

VLT
Name:	(2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid
Formula:	C11 H13 N O3
SMILES:	O=C(O)C=CC(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C11H13NO3/c12-9(3-6-11(14)15)7-8-1-4-10(13)5-2-8/h1-6,9,13H,7,12H2,(H,14,15)/b6-3+/t9-/m1/s1
Definition date:	2010-09-24
Last modified:	2024-09-27
Identifier:	(2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid

L2O

L2O
Name:	(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid
Formula:	C7 H15 N O3
SMILES:	O=C(O)C(O)C(N)CC(C)C
InChi:	InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
Definition date:	2010-10-09
Last modified:	2024-09-27
Identifier:	(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid

AZ0

AZ0
Name:	ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate
Formula:	C30 H48 N4 O8
SMILES:	O=C(OCC)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C30H48N4O8/c1-8-41-29(39)25(35)16-26(36)34(17-21(6)7)33-28(38)24(15-20(4)5)31-27(37)23(14-19(2)3)32-30(40)42-18-22-12-10-9-11-13-22/h9-13,19-21,23-25,35H,8,14-18H2,1-7H3,(H,31,37)(H,32,40)(H,33,38)/t23-,24-,25-/m0/s1
Definition date:	2009-03-18
Last modified:	2024-09-27
Identifier:	ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate

R7A

R7A
Name:	S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Formula:	C10 H17 Br N O3 S2
SMILES:	BrC1=C(C(N(O)C1(C)C)(C)C)CSS(=O)(=O)C
InChi:	InChI=1S/C10H18BrNO3S2/c1-9(2)7(6-16-17(5,14)15)8(11)10(3,4)12(9)13/h13H,6H2,1-5H3
Definition date:	2005-07-19
Last modified:	2024-09-27
Identifier:	S-[(4-bromo-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate

T9E

T9E
Name:	Selenothreonine
Formula:	C4 H9 N O2 Se
SMILES:	C[CH]([SeH])[CH](N)C(O)=O
InChi:	InChI=1S/C4H9NO2Se/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1
Definition date:	2018-02-17
Last modified:	2024-09-27
Release date:	2019-02-20
Identifier:	(2~{R},3~{R})-2-azanyl-3-selanyl-butanoic acid

AZE

AZE
Name:	ALL-TRANS AXEROPHTHENE
Formula:	C20 H30
SMILES:	C(/C1=C(CCCC1(C)C)C)=CC(=CC=CC(=CC)C)C
InChi:	InChI=1S/C20H30/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-11,13-14H,9,12,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-1,3,3-trimethylcyclohexene

SGM

SGM
Name:	MONOTHIOGLYCEROL
Formula:	C3 H8 O2 S
SMILES:	OCC(O)CS
InChi:	InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-3-sulfanylpropane-1,2-diol

TPO

TPO
Name:	PHOSPHOTHREONINE
Formula:	C4 H10 N O6 P
SMILES:	O=P(O)(O)OC(C(N)C(=O)O)C
InChi:	InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
Synonyms:	PHOSPHONOTHREONINE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	O-phosphono-L-threonine

MTN

MTN
Name:	S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Formula:	C10 H18 N O3 S2
SMILES:	ON1C(C=C(CSS(=O)(=O)C)C1(C)C)(C)C
InChi:	InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3
Synonyms:	MTSL
Definition date:	2003-12-10
Last modified:	2024-09-27
Identifier:	S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate

TCK

TCK
Name:	N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
Formula:	C14 H21 Cl N2 O3 S
SMILES:	O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C
InChi:	InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1
Synonyms:	Tos-Lys-CH2Cl
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide

MEZ

MEZ
Name:	(2E)-2-METHYLBUT-2-ENEDIOIC ACID
Formula:	C5 H6 O4
SMILES:	O=C(O)C=C(C(=O)O)C
InChi:	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
Synonyms:	MESACONIC ACID
Definition date:	2004-11-18
Last modified:	2024-09-27
Identifier:	(2E)-2-methylbut-2-enedioic acid

M1M

M1M
Name:	1,1-Methanediyl Bismethanethiosulfonate
Formula:	C3 H8 O4 S4
SMILES:	S(S(=O)(=O)C)CSS(=O)(=O)C
InChi:	InChI=1S/C3H8O4S4/c1-10(4,5)8-3-9-11(2,6)7/h3H2,1-2H3
Synonyms:	S,S'-methylene dimethanesulfonothioate
Definition date:	2016-05-12
Last modified:	2024-09-27
Release date:	2020-05-27
Identifier:	S,S'-methylene dimethanesulfonothioate

NOT

NOT
Name:	6-azido-L-norleucine
Formula:	C6 H12 N4 O2
SMILES:	[N-]=[N+]=N/CCCCC(N)C(=O)O
InChi:	InChI=1S/C6H12N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H,11,12)/t5-/m0/s1
Synonyms:	AZIDONORLEUCINE
Definition date:	2009-05-08
Last modified:	2024-09-27
Identifier:	6-azido-L-norleucine

CEH

CEH
Name:	5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-( CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Formula:	C32 H42 N6 O13 S
SMILES:	O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)CCC(C(=O)O)NC(=O)C)CCC1=C(NC(SC1)C(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O)C)C
InChi:	InChI=1S/C32H42N6O13S/c1-15(26(42)34-16(2)29(44)45)33-27(43)20(36-22(40)12-11-21(30(46)47)35-17(3)39)10-9-19-14-52-28(38-24(19)31(48)49)25(32(50)51)37-23(41)13-18-7-5-4-6-8-18/h4-8,15-16,20-21,25,28,38H,9-14H2,1-3H3,(H,33,43)(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t15-,16-,20+,21-,25+,28-/m1/s1
Synonyms:	CEPHALOSPORIN ANALOG
Definition date:	2001-01-09
Last modified:	2024-09-27
Identifier:	N-{(2S)-2-[(N-acetyl-D-gamma-glutamyl)amino]-4-[(2R)-4-carboxy-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-3,6-dihydro-2H-1,3-thiazin-5-yl]butanoyl}-D-alanyl-D-alanine

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