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N1L

N1L
Name:	2-amino-2-deoxy-beta-D-glucopyranuronic acid
Formula:	C6 H11 N O6
SMILES:	O=C(O)C1OC(O)C(N)C(O)C1O
InChi:	InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1
Synonyms:	2-amino-2-deoxy-beta-D-glucuronic acid
Definition date:	2008-03-11
Last modified:	2024-09-27
Identifier:	2-amino-2-deoxy-beta-D-glucopyranuronic acid

MLZ

MLZ
Name:	N-METHYL-LYSINE
Formula:	C7 H16 N2 O2
SMILES:	O=C(O)C(N)CCCCNC
InChi:	InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N~6~-methyl-L-lysine

TYI

TYI
Name:	3,5-DIIODOTYROSINE
Formula:	C9 H9 I2 N O3
SMILES:	Ic1cc(cc(I)c1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3,5-diiodo-L-tyrosine

LSO

LSO
Name:	(Z)-N~6~-(3-CARBOXY-1-{[(4-CARBOXY-2-OXOBUTYL)SULFONYL]METHYL}PROPYLIDENE)-L-LYSINE
Formula:	C16 H26 N2 O9 S
SMILES:	O=S(=O)(C/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CC(=O)CCC(=O)O
InChi:	InChI=1S/C16H26N2O9S/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-28(26,27)10-12(19)5-7-15(22)23/h13H,1-10,17H2,(H,20,21)(H,22,23)(H,24,25)/b18-11+/t13-/m0/s1
Synonyms:	2-AMINO-6-[3-CARBOXY-2-OXO-BUTANE-1-SULFONYLMETHYL-PROPYLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2024-09-27
Identifier:	(E)-N~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-L-lysine

TYJ

TYJ
Name:	2,5-dihydroxy-N-methyl-L-tyrosine
Formula:	C10 H13 N O5
SMILES:	O=C(O)C(NC)Cc1c(O)cc(O)c(O)c1
InChi:	InChI=1S/C10H13NO5/c1-11-6(10(15)16)2-5-3-8(13)9(14)4-7(5)12/h3-4,6,11-14H,2H2,1H3,(H,15,16)/t6-/m0/s1
Definition date:	2011-02-09
Last modified:	2024-09-27
Identifier:	2,5-dihydroxy-N-methyl-L-tyrosine

SQW

SQW
Name:	propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
Formula:	C15 H17 N O3
SMILES:	CC(C)OC(=O)CCC(=O)n1ccc2ccccc12
InChi:	InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3
Definition date:	2020-11-30
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate

WEL

WEL
Name:	(1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C25 H37 N5 O8 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1nc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C25H37N5O8S2/c1-14(2)11-18(21(32)27-19(22(33)40(35,36)37)12-15-9-10-26-20(15)31)30-24(34)38-13-25(3,4)39-23-28-16-7-5-6-8-17(16)29-23/h5-8,14-15,18-19,22,33H,9-13H2,1-4H3,(H,26,31)(H,27,32)(H,28,29)(H,30,34)(H,35,36,37)/t15-,18-,19-,22-/m0/s1
Definition date:	2022-09-05
Last modified:	2024-09-27
Release date:	2022-09-14
Identifier:	(1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

LSR

LSR
Name:	1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene
Formula:	C15 H24
SMILES:	C(/C1=C(CCCC1(C)C)C)=CC(=CC)C
InChi:	InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+
Definition date:	2008-04-17
Last modified:	2024-09-27
Identifier:	1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene

N1R

N1R
Name:	2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide
Formula:	C20 H28 Cl2 N2 O3
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCCNC(=O)CCl)CC2
InChi:	InChI=1S/C20H28Cl2N2O3/c1-20(2,27-17-7-5-16(22)6-8-17)19(26)24-12-9-15(10-13-24)4-3-11-23-18(25)14-21/h5-8,15H,3-4,9-14H2,1-2H3,(H,23,25)
Definition date:	2022-08-11
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide

OOL

OOL
Name:	(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine
Formula:	C7 H9 N3 O2
SMILES:	N=Cc1nc(OC)cc(OC)n1
InChi:	InChI=1S/C7H9N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3-4,8H,1-2H3/b8-4+
Definition date:	2023-08-17
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine

TYN

TYN
Name:	AMINOBENZOFURAZAN-O-TYROSINE
Formula:	C15 H16 N4 O4
SMILES:	O=C(O)C(N)Cc3ccc(Oc2ccc(c1NONc12)N)cc3
InChi:	InChI=1S/C15H16N4O4/c16-10-5-6-12(14-13(10)18-23-19-14)22-9-3-1-8(2-4-9)7-11(17)15(20)21/h1-6,11,18-19H,7,16-17H2,(H,20,21)/t11-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	O-(7-amino-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)-L-tyrosine

WSR

WSR
Name:	(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name)
Formula:	C25 H41 F O5 S
SMILES:	FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OS(=O)(=O)O
InChi:	InChI=1S/C25H41FO5S/c1-16(4-6-18(27)15-26)21-8-9-22-20-7-5-17-14-19(31-32(28,29)30)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-17,19-23H,4-15H2,1-3H3,(H,28,29,30)/t16-,17-,19-,20+,21-,22+,23+,24+,25-/m1/s1
Definition date:	2022-10-17
Last modified:	2024-09-27
Release date:	2023-11-01
Identifier:	(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name)

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

TYO

TYO
Name:	(4Z,6E)-2-AMINO-7-HYDROPEROXY-4-[(E)-2-HYDROXYVINYL]HEPTA-4,6-DIENOIC ACID
Formula:	C9 H13 N O5
SMILES:	O=C(O)C(N)CC(C=CO)=CC=COO
InChi:	InChI=1S/C9H13NO5/c10-8(9(12)13)6-7(3-4-11)2-1-5-15-14/h1-5,8,11,14H,6,10H2,(H,12,13)/b4-3?,5-1+,7-2+/t8-/m0/s1
Definition date:	2006-09-22
Last modified:	2024-09-27
Identifier:	(2S,4Z,6E)-2-amino-7-hydroperoxy-4-[(E)-2-hydroxyethenyl]hepta-4,6-dienoic acid

N1U

N1U
Name:	(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one
Formula:	C18 H18 Br N O4
SMILES:	COc1ccc(cc1OC)CN1c2c(C)cc(Br)cc2C(O)C1=O
InChi:	InChI=1S/C18H18BrNO4/c1-10-6-12(19)8-13-16(10)20(18(22)17(13)21)9-11-4-5-14(23-2)15(7-11)24-3/h4-8,17,21H,9H2,1-3H3/t17-/m0/s1
Definition date:	2023-08-16
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one

P4E

P4E
Name:	(2S,4E)-2-amino-5-phenylpent-4-enoic acid
Formula:	C11 H13 N O2
SMILES:	O=C(O)C(N)C/C=C/c1ccccc1
InChi:	InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
Definition date:	2011-10-13
Last modified:	2024-09-27
Identifier:	(2S,4E)-2-amino-5-phenylpent-4-enoic acid

WEQ

WEQ
Name:	(1~{R},2~{S})-2-[[(2~{S})-2-[[2-(1~{H}-benzimidazol-2-ylsulfanyl)-2-methyl-propoxy]carbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid;molecular oxygen
Formula:	C25 H37 N5 O8 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1nc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C25H37N5O8S2/c1-14(2)11-18(21(32)27-19(22(33)40(35,36)37)12-15-9-10-26-20(15)31)30-24(34)38-13-25(3,4)39-23-28-16-7-5-6-8-17(16)29-23/h5-8,14-15,18-19,22,33H,9-13H2,1-4H3,(H,26,31)(H,27,32)(H,28,29)(H,30,34)(H,35,36,37)/t15-,18-,19-,22+/m0/s1
Definition date:	2022-09-05
Last modified:	2024-09-27
Release date:	2022-09-14
Identifier:	(1R,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

TYQ

TYQ
Name:	3-AMINO-6-HYDROXY-TYROSINE
Formula:	C9 H12 N2 O4
SMILES:	O=C(O)C(N)Cc1c(O)cc(O)c(N)c1
InChi:	InChI=1S/C9H12N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,12-13H,2,10-11H2,(H,14,15)/t6-/m0/s1
Definition date:	1999-08-26
Last modified:	2024-09-27
Identifier:	3-amino-6-hydroxy-L-tyrosine

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

N1W

N1W
Name:	(2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
Formula:	C30 H41 N7 O7
SMILES:	CC(C)[CH](NC(=O)[CH](NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O)[CH]2CCN=C(N)N2)C(=O)N[CH](CO)Cc3ccccc3
InChi:	InChI=1S/C30H41N7O7/c1-17(2)24(26(40)33-20(16-38)14-18-6-4-3-5-7-18)36-27(41)25(22-12-13-32-29(31)34-22)37-30(44)35-23(28(42)43)15-19-8-10-21(39)11-9-19/h3-11,17,20,22-25,38-39H,12-16H2,1-2H3,(H,33,40)(H,36,41)(H,42,43)(H3,31,32,34)(H2,35,37,44)/t20-,22-,23+,24-,25-/m0/s1
Definition date:	2019-11-06
Last modified:	2024-09-27
Release date:	2019-12-04
Identifier:	(2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid

SR2

SR2
Name:	(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
Formula:	C20 H20 Br N5 O
SMILES:	Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)/C=C/CN(C)C
InChi:	InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
Definition date:	2007-08-06
Last modified:	2024-09-27
Identifier:	(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide

TYR

TYR
Name:	TYROSINE
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	L-tyrosine

TYS

TYS
Name:	O-SULFO-L-TYROSINE
Formula:	C9 H11 N O6 S
SMILES:	O=C(O)C(N)Cc1ccc(OS(=O)(=O)O)cc1
InChi:	InChI=1S/C9H11NO6S/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)(H,13,14,15)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	O-sulfo-L-tyrosine

SR3

SR3
Name:	(2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid
Formula:	C10 H16 N2 O8 S
SMILES:	O=C(O)C(NC=CC=O)C(C(=O)OCC(=O)N)(C)S(O)O
InChi:	InChI=1S/C10H16N2O8S/c1-10(21(18)19,9(17)20-5-6(11)14)7(8(15)16)12-3-2-4-13/h2-4,7,12,18-19,21H,5H2,1H3,(H2,11,14)(H,15,16)/b3-2+/t7-,10+/m0/s1
Definition date:	2011-05-12
Last modified:	2024-09-27
Identifier:	(2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid (non-preferred name)

PHA

PHA
Name:	PHENYLALANINAL
Formula:	C9 H11 N O
SMILES:	O=CC(N)Cc1ccccc1
InChi:	InChI=1S/C9H11NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6,10H2/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-phenylpropanal

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