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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

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

PHB

PHB
Name:	P-HYDROXYBENZOIC ACID
Formula:	C7 H6 O3
SMILES:	O=C(O)c1ccc(O)cc1
InChi:	InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-hydroxybenzoic acid

LEA

LEA
Name:	PENTANOIC ACID
Formula:	C5 H10 O2
SMILES:	O=C(O)CCCC
InChi:	InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
Synonyms:	VALERIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	pentanoic acid

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

P3T

P3T
Name:	(4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:	C12 H22 N3 O5 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1CNCCCCN)C
InChi:	InChI=1S/C12H22N3O5P/c1-9-12(16)11(7-14-5-3-2-4-13)10(6-15-9)8-20-21(17,18)19/h6,14,16H,2-5,7-8,13H2,1H3,(H2,17,18,19)
Synonyms:	PHOSPHORIC ACID MONO-{4-[(4-AMINO-BUTYLAMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER
Definition date:	2007-05-16
Last modified:	2024-09-27
Identifier:	(4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

QBZ

QBZ
Name:	(2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid
Formula:	C10 H13 N4 O6 S
SMILES:	C[C](Cn1ccnn1)([CH](N=CCC(O)=O)C(O)=O)[S-](=O)=O
InChi:	InChI=1S/C10H13N4O6S/c1-10(21(19)20,6-14-5-4-12-13-14)8(9(17)18)11-3-2-7(15)16/h3-5,8H,2,6H2,1H3,(H,15,16)(H,17,18)/q-1/b11-3+/t8-,10-/m0/s1
Synonyms:	Tazobactam imine intermediate
Definition date:	2020-06-04
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	(2~{S},3~{S})-3-methyl-2-[(~{E})-(3-oxidanyl-3-oxidanylidene-propylidene)amino]-3-sulfinato-4-(1,2,3-triazol-1-yl)butanoic acid

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

PHD

PHD
Name:	ASPARTYL PHOSPHATE
Formula:	C4 H8 N O7 P
SMILES:	O=C(OP(=O)(O)O)CC(C(=O)O)N
InChi:	InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1
Definition date:	1999-10-06
Last modified:	2024-09-27
Identifier:	4-oxo-O-phosphono-L-homoserine

TYT

TYT
Name:	TYROSINE DERIVATIVE
Formula:	C18 H20 N2 O4
SMILES:	O=C(O)C(N)CC3C(=O)C=C(O)/C(=N/C2CC2c1ccccc1)C3
InChi:	InChI=1S/C18H20N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,9,11-14,22H,6-8,19H2,(H,23,24)/b20-15+
Synonyms:	2-AMINO-3-[4-HYDROXY-6-OXO-3-(2-PHENYL-CYCLOPROPYLIMINO)-CYCLOHEXA-1,4-DIENYL]-PROPIONIC ACID
Definition date:	2002-06-21
Last modified:	2024-09-27
Identifier:	3-{(5E)-4-hydroxy-2-oxo-5-[(2-phenylcyclopropyl)imino]cyclohex-3-en-1-yl}alanine

QQ8

QQ8
Name:	(4~{S})-4-azanyl-5-formamido-pentanamide
Formula:	C6 H13 N3 O3
SMILES:	N[CH](CCC(N)=O)CNC(O)=O
InChi:	InChI=1S/C6H13N3O3/c7-4(1-2-5(8)10)3-9-6(11)12/h4,9H,1-3,7H2,(H2,8,10)(H,11,12)/t4-/m0/s1
Definition date:	2020-07-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	[(2~{S})-2,5-bis(azanyl)-5-oxidanylidene-pentyl]carbamic acid

PHE

PHE
Name:	PHENYLALANINE
Formula:	C9 H11 N O2
SMILES:	O=C(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	L-phenylalanine

LED

LED
Name:	(4R)-5-OXO-L-LEUCINE
Formula:	C6 H11 N O3
SMILES:	O=CC(C)CC(N)C(=O)O
InChi:	InChI=1S/C6H11NO3/c1-4(3-8)2-5(7)6(9)10/h3-5H,2,7H2,1H3,(H,9,10)/t4-,5+/m1/s1
Definition date:	2006-06-07
Last modified:	2024-09-27
Identifier:	(4R)-5-oxo-L-leucine

A1IMU

A1IMU
Name:	(2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide
Formula:	C27 H34 N6 O6
SMILES:	CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Nc4ccccc4)C3=O
InChi:	InChI=1S/C27H34N6O6/c1-28-25(37)22(34)20(15-17-11-12-29-23(17)35)31-24(36)21(14-16-9-10-16)33-13-5-8-19(26(33)38)32-27(39)30-18-6-3-2-4-7-18/h2-8,13,16-17,20-22,34H,9-12,14-15H2,1H3,(H,28,37)(H,29,35)(H,31,36)(H2,30,32,39)/t17-,20+,21?,22+/m1/s1
Definition date:	2024-08-28
Last modified:	2024-09-27
Release date:	2024-09-11
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide

LEF

LEF
Name:	(4S)-5-FLUORO-L-LEUCINE
Formula:	C6 H12 F N O2
SMILES:	FCC(CC(N)C(=O)O)C
InChi:	InChI=1S/C6H12FNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
Definition date:	2003-05-13
Last modified:	2024-09-27
Identifier:	(4S)-5-fluoro-L-leucine

UDI

UDI
Name:	butane-1,4-dithiol
Formula:	C4 H10 S2
SMILES:	SCCCCS
InChi:	InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
Synonyms:	1,2-dithiane 1-oxide (reacted)
Definition date:	2023-02-01
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	butane-1,4-dithiol

QQB

QQB
Name:	~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide
Formula:	C14 H16 N2 O2
SMILES:	N[CH](CNC(O)=O)Cc1cccc2ccccc12
InChi:	InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1
Definition date:	2020-07-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid

TYW

TYW
Name:	(2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol
Formula:	C9 H13 N O3
SMILES:	Oc1ccc(cc1)CC(N)C(O)O
InChi:	InChI=1S/C9H13NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8-9,11-13H,5,10H2/t8-/m0/s1
Definition date:	2011-09-27
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol

TJ7

TJ7
Name:	(2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid
Formula:	C16 H20 N2 O7 S2
SMILES:	O=CC(OC)(C1SC(C(N1)C(O)=O)(C)C)NC(=O)C(C(O)=O)c2cscc2
InChi:	InChI=1S/C16H20N2O7S2/c1-15(2)10(13(23)24)17-14(27-15)16(7-19,25-3)18-11(20)9(12(21)22)8-4-5-26-6-8/h4-7,9-10,14,17H,1-3H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,14-,16+/m1/s1
Synonyms:	temocillin
Definition date:	2019-10-15
Last modified:	2024-09-27
Release date:	2019-10-30
Identifier:	(2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

QC4

QC4
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H14 F3 N3 O5
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2F)F)O
InChi:	InChI=1S/C15H14F3N3O5/c1-5(22)12(19)14-20-8(15(26)21(14)4-9(23)24)3-6-2-7(16)13(25)11(18)10(6)17/h2-3,5,12,22,25H,4,19H2,1H3,(H,23,24)/b8-3-/t5-,12+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2019-10-11
Last modified:	2024-09-27
Release date:	2020-10-14
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid

TYX

TYX
Name:	S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE
Formula:	C11 H14 N2 O3 S
SMILES:	O=C(Nc1ccccc1)CSCC(C(=O)O)N
InChi:	InChI=1S/C11H14N2O3S/c12-9(11(15)16)6-17-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
Definition date:	2007-05-07
Last modified:	2024-09-27
Identifier:	S-[2-oxo-2-(phenylamino)ethyl]-L-cysteine

TJ8

TJ8
Name:	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C16 H11 Br N2 O
SMILES:	Brc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H11BrN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
Synonyms:	LvD1009
Definition date:	2020-12-22
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

8WN

8WN
Name:	~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide
Formula:	C27 H30 N6 O5 S
SMILES:	CC[S](=O)(=O)Nc1ccccc1c2ccc(cc2)C(=O)N3CCC(O)(CC3)CN4C=Nc5n(C)ncc5C4=O
InChi:	InChI=1S/C27H30N6O5S/c1-3-39(37,38)30-23-7-5-4-6-21(23)19-8-10-20(11-9-19)25(34)32-14-12-27(36,13-15-32)17-33-18-28-24-22(26(33)35)16-29-31(24)2/h4-11,16,18,30,36H,3,12-15,17H2,1-2H3
Definition date:	2017-03-17
Last modified:	2024-09-27
Release date:	2017-10-18
Identifier:	~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide

PHI

PHI
Name:	IODO-PHENYLALANINE
Formula:	C9 H10 I N O2
SMILES:	Ic1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C9H10INO2/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:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-iodo-L-phenylalanine

TYY

TYY
Name:	3-(4-HYDROXY-3-IMINO-6-OXO-CYCLOHEXA-1,4-DIENYL)-ALANINE
Formula:	C9 H10 N2 O4
SMILES:	O=C1C=C(O)C(=[N@H])C=C1CC(C(=O)O)N
InChi:	InChI=1S/C9H10N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,10,13H,2,11H2,(H,14,15)/b10-5-/t6-/m0/s1
Definition date:	1999-08-26
Last modified:	2024-09-27
Identifier:	3-[(3Z)-4-hydroxy-3-imino-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine

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