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0BN

0BN
Name:	4-carbamimidoyl-L-phenylalanine
Formula:	C10 H13 N3 O2
SMILES:	O=C(O)C(N)Cc1ccc(cc1)C(=[N@H])N
InChi:	InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2010-09-25
Last modified:	2023-11-03
Identifier:	4-carbamimidoyl-L-phenylalanine

TFW

TFW
Name:	5,6,7-trifluoro-tryptophan
Formula:	C11 H9 F3 N2 O2
SMILES:	N[CH](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O)=O
InChi:	InChI=1S/C11H9F3N2O2/c12-6-2-5-4(1-7(15)11(17)18)3-16-10(5)9(14)8(6)13/h2-3,7,16H,1,15H2,(H,17,18)/t7-/m0/s1
Synonyms:	(2S)-2-azanyl-3-[5,6,7-tris(fluoranyl)-1H-indol-3-yl]propanoic acid
Definition date:	2022-02-10
Last modified:	2023-11-03
Release date:	2022-11-23
Identifier:	(2~{S})-2-azanyl-3-[5,6,7-tris(fluoranyl)-1~{H}-indol-3-yl]propanoic acid

XCN

XCN
Name:	S-cyano-L-cysteine
Formula:	C4 H6 N2 O2 S
SMILES:	O=C(O)C(N)CSC#N
InChi:	InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
Definition date:	2010-09-21
Last modified:	2023-11-03
Identifier:	S-cyano-L-cysteine

Q75

Q75
Name:	3-(1,3-Thiazol-5-yl)-L-alanine
Formula:	C6 H8 N2 O2 S
SMILES:	N[CH](Cc1scnc1)C(O)=O
InChi:	InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-8-3-11-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1
Synonyms:	(2S)-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid
Definition date:	2020-05-26
Last modified:	2023-11-03
Release date:	2021-04-28
Identifier:	(2~{S})-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid

S7C

S7C
Name:	1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:	C28 H27 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2CC)c1cncc2ccccc21
InChi:	InChI=1S/C28H27ClN4O3S/c1-2-21-15-33(25-13-31-12-19-5-3-4-6-23(19)25)26(34)28(21)17-32(14-20-7-8-22(29)11-24(20)28)37(35,36)18-27(16-30)9-10-27/h3-8,11-13,21H,2,9-10,14-15,17-18H2,1H3/t21-,28-/m0/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile

VI3

VI3
Name:	(2~{R})-2-azanyl-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]propanoic acid
Formula:	C3 H6 N O4 S
SMILES:	N[CH](C[S-](=O)=O)C(O)=O
InChi:	InChI=1S/C3H6NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1
Definition date:	2023-03-07
Last modified:	2023-11-03
Release date:	2023-03-15
Identifier:	(2~{R})-2-azanyl-3-sulfinato-propanoic acid

Q78

Q78
Name:	L-3-Thienylalanine
Formula:	C7 H9 N O2 S
SMILES:	N[CH](Cc1cscc1)C(O)=O
InChi:	InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1
Synonyms:	(2S)-2-azanyl-3-thiophen-3-yl-propanoic acid
Definition date:	2020-05-26
Last modified:	2023-11-03
Release date:	2021-04-28
Identifier:	(2~{S})-2-azanyl-3-thiophen-3-yl-propanoic acid

Q7C

Q7C
Name:	N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide
Formula:	C9 H16 N2 O4 S
SMILES:	O=S1(=O)CCC(C1)N(CCC(N)=O)C(C)=O
InChi:	InChI=1S/C9H16N2O4S/c1-7(12)11(4-2-9(10)13)8-3-5-16(14,15)6-8/h8H,2-6H2,1H3,(H2,10,13)/t8-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide

PSH

PSH
Name:	1-thiophosphono-L-histidine
Formula:	C6 H10 N3 O4 P S
SMILES:	O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O
InChi:	InChI=1S/C6H10N3O4PS/c7-5(6(10)11)1-4-2-9(3-8-4)14(12,13)15/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,15)/t5-/m0/s1
Definition date:	2007-09-28
Last modified:	2023-11-03
Identifier:	1-thiophosphono-L-histidine

S7U

S7U
Name:	1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:	C27 H25 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCCN(C2=O)c2cncc3ccccc32)C1
InChi:	InChI=1S/C27H25ClN4O3S/c28-21-7-6-20-15-31(36(34,35)18-26(16-29)9-10-26)17-27(23(20)12-21)8-3-11-32(25(27)33)24-14-30-13-19-4-1-2-5-22(19)24/h1-2,4-7,12-14H,3,8-11,15,17-18H2/t27-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile

PSW

PSW
Name:	3-(SULFANYLSELANYL)-L-ALANINE
Formula:	C3 H7 N O2 S Se
SMILES:	O=C(O)C(N)C[Se]S
InChi:	InChI=1S/C3H7NO2SSe/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Definition date:	2009-08-07
Last modified:	2023-11-03
Identifier:	3-(sulfanylselanyl)-L-alanine

RG9

RG9
Name:	2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide
Formula:	C20 H19 Cl N2 O2
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(C)(C)O
InChi:	InChI=1S/C20H19ClN2O2/c1-20(2,25)15-6-7-17-14(10-15)11-22-12-18(17)23-19(24)9-13-4-3-5-16(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24)
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide

0CS

0CS
Name:	3-[(S)-HYDROPEROXYSULFINYL]-L-ALANINE
Formula:	C3 H7 N O5 S
SMILES:	O=C(O)C(N)CS(=O)OO
InChi:	InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(8)9-7/h2,7H,1,4H2,(H,5,6)/t2-,10-/m0/s1
Definition date:	2007-01-19
Last modified:	2023-11-03
Identifier:	3-[(S)-hydroperoxysulfinyl]-L-alanine

OMX

OMX
Name:	(betaR)-beta-hydroxy-L-Tyrosine
Formula:	C9 H11 N O4
SMILES:	O=C(O)C(N)C(O)c1ccc(O)cc1
InChi:	InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m0/s1
Definition date:	2010-08-10
Last modified:	2023-11-03
Identifier:	(betaR)-beta-hydroxy-L-tyrosine

OMY

OMY
Name:	(betaR)-3-chloro-beta-hydroxy-L-tyrosine
Formula:	C9 H10 Cl N O4
SMILES:	Clc1cc(ccc1O)C(O)C(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m0/s1
Definition date:	2009-03-27
Last modified:	2023-11-03
Identifier:	(betaR)-3-chloro-beta-hydroxy-L-tyrosine

OMZ

OMZ
Name:	(betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE
Formula:	C9 H10 Cl N O4
SMILES:	Clc1cc(ccc1O)C(O)C(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8-/m1/s1
Definition date:	2010-08-06
Last modified:	2023-11-03
Identifier:	(betaR)-3-chloro-beta-hydroxy-D-tyrosine

MY5

MY5
Name:	{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
Formula:	C16 H22 N4 O6
SMILES:	O=C(O)CN(N)C(=O)CC(O)C(=O)NC(C(=O)NCc1ccccc1)C
InChi:	InChI=1S/C16H22N4O6/c1-10(15(25)18-8-11-5-3-2-4-6-11)19-16(26)12(21)7-13(22)20(17)9-14(23)24/h2-6,10,12,21H,7-9,17H2,1H3,(H,18,25)(H,19,26)(H,23,24)/t10-,12-/m0/s1
Definition date:	2006-05-22
Last modified:	2023-11-03
Identifier:	{1-[(3S)-4-{[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino}-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic acid

PTH

PTH
Name:	CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE
Formula:	C10 H14 N O7 P
SMILES:	O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O
InChi:	InChI=1S/C10H14NO7P/c11-8(10(13)14)4-6-1-2-9(7(3-6)5-12)18-19(15,16)17/h1-3,8,12H,4-5,11H2,(H,13,14)(H2,15,16,17)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-(hydroxymethyl)-O-phosphono-L-tyrosine

VYN

VYN
Name:	8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
Formula:	C26 H29 Cl N6 O3
SMILES:	Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NC(CO)CO)nc4N(CCCCN)C3=O
InChi:	InChI=1S/C26H29ClN6O3/c1-16-5-4-6-23(30-16)17-7-8-20(22(27)12-17)21-11-18-13-29-26(31-19(14-34)15-35)32-24(18)33(25(21)36)10-3-2-9-28/h4-8,11-13,19,34-35H,2-3,9-10,14-15,28H2,1H3,(H,29,31,32)
Definition date:	2023-09-20
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

PTM

PTM
Name:	ALPHA-METHYL-O-PHOSPHOTYROSINE
Formula:	C10 H14 N O6 P
SMILES:	O=P(Oc1ccc(cc1)CC(C(=O)O)(N)C)(O)O
InChi:	InChI=1S/C10H14NO6P/c1-10(11,9(12)13)6-7-2-4-8(5-3-7)17-18(14,15)16/h2-5H,6,11H2,1H3,(H,12,13)(H2,14,15,16)/t10-/m0/s1
Definition date:	2001-09-19
Last modified:	2023-11-03
Identifier:	alpha-methyl-O-phosphono-L-tyrosine

V44

V44
Name:	S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine
Formula:	C13 H19 N5 O2 S
SMILES:	C(=O)(C(N)CSCC(c1nccn1C)c2n(ccn2)C)O
InChi:	InChI=1S/C13H19N5O2S/c1-17-5-3-15-11(17)9(12-16-4-6-18(12)2)7-21-8-10(14)13(19)20/h3-6,9-10H,7-8,14H2,1-2H3,(H,19,20)/t10-/m0/s1
Definition date:	2020-06-23
Last modified:	2023-11-03
Release date:	2021-06-30
Identifier:	S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine

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:	2023-11-03
Identifier:	O-phosphono-L-tyrosine

WFP

WFP
Name:	3,5-difluoro-L-phenylalanine
Formula:	C9 H9 F2 N O2
SMILES:	N[CH](Cc1cc(F)cc(F)c1)C(O)=O
InChi:	InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
Definition date:	2009-12-13
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid

PF5

PF5
Name:	2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE
Formula:	C9 H6 F5 N O2
SMILES:	Fc1c(c(F)c(F)c(F)c1F)CC(C(=O)O)N
InChi:	InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
Synonyms:	FLUORINATED PHENYLALANINE
Definition date:	2006-09-12
Last modified:	2023-11-03
Identifier:	2,3,4,5,6-pentafluoro-L-phenylalanine

0EA

0EA
Name:	(betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine
Formula:	C10 H13 N O5
SMILES:	O=C(O)C(NC)C(O)c1cc(O)c(O)cc1
InChi:	InChI=1S/C10H13NO5/c1-11-8(10(15)16)9(14)5-2-3-6(12)7(13)4-5/h2-4,8-9,11-14H,1H3,(H,15,16)/t8-,9+/m0/s1
Definition date:	2011-12-22
Last modified:	2023-11-03
Identifier:	(betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine

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