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TXE

TXE
Name:	[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
Formula:	C21 H31 N7 O14 P2
SMILES:	NC(=O)[CH]1CC=CN(C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3,7-11,13-16,20-21,29-32H,2,4-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Synonyms:	1,2,3,4-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
Definition date:	2013-10-31
Last modified:	2020-06-17
Release date:	2014-10-29
Identifier:	[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

YSV

YSV
Name:	(1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol
Formula:	C27 H44 O3
SMILES:	OC(C)(C)CCCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C
InChi:	InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22-,23+,24-,25-,27-/m1/s1
Synonyms:	2-methylidene-19-nor-1alpha,25-dihydroxyvitamin D3
Definition date:	2016-03-30
Last modified:	2020-06-17
Release date:	2016-12-07
Identifier:	(1R,3R,7E,17beta)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol

ZXU

ZXU
Name:	N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-L-tyrosinamide
Formula:	C36 H32 N2 O12
SMILES:	N(C(C(=O)NCCCOC=1C(=O)c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)Cc4ccc(cc4)O)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O
InChi:	InChI=1S/C36H32N2O12/c39-22-7-2-19(3-8-22)14-24(38-31(46)11-5-20-4-9-25(41)27(43)15-20)36(48)37-12-1-13-49-35-33(47)32-29(45)17-23(40)18-30(32)50-34(35)21-6-10-26(42)28(44)16-21/h2-11,15-18,24,39-45H,1,12-14H2,(H,37,48)(H,38,46)/b11-5+/t24-/m0/s1
Synonyms:	synthetic Montbretin A analogue
Definition date:	2019-03-22
Last modified:	2020-06-17
Release date:	2020-02-12
Identifier:	N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-tyrosinamide

SPB

SPB
Name:	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID
Formula:	C19 H19 N O3
SMILES:	O=C(Nc1ccc(cc1)C=Cc2ccccc2)CCCC(=O)O
InChi:	InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+
Synonyms:	5-OXO-5-({4-[(E)-2-PHENYLVINYL]PHENYL}AMINO)PENTANOIC ACID
Definition date:	2000-09-20
Last modified:	2020-06-17
Identifier:	5-oxo-5-({4-[(E)-2-phenylethenyl]phenyl}amino)pentanoic acid

SAK

SAK
Name:	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one
Formula:	C16 H14 O5
SMILES:	O=C2c3c(OC(c1ccc(O)cc1)C2)cc(OC)cc3O
InChi:	InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
Synonyms:	sakuranetin
Definition date:	2008-05-12
Last modified:	2020-06-17
Identifier:	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one

TIY

TIY
Name:	2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one
Formula:	C11 H8 O5
SMILES:	O=C2c1c(O)c(O)c(O)cc1C=CC=C2O
InChi:	InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
Synonyms:	Purpurogallin
Definition date:	2011-08-30
Last modified:	2020-06-17
Identifier:	2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one

UCB

UCB
Name:	1-(CYCLOHEPTYLMETHYL)-4-{[(2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL]AMINO}-1-ETHYLPIPERIDINIUM
Formula:	C29 H37 Cl2 N2 O2
SMILES:	Clc5cc2c(Oc1ccc(Cl)cc1C2C(=O)NC4CC[N+](CC)(CC3CCCCCC3)CC4)cc5
InChi:	InChI=1S/C29H36Cl2N2O2/c1-2-33(19-20-7-5-3-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1/t23-,33-
Synonyms:	UCB35625
Definition date:	2004-12-07
Last modified:	2020-06-17
Identifier:	trans-1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium

SAO

SAO
Name:	5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine
Formula:	C14 H21 N6 O5 S
SMILES:	[NH3+]C(C(O)=O)CCSCC1OC(C(C1O)O)n2cnc3c2ncnc3N
InChi:	InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/p+1/t6-,7+,9+,10+,13+/m0/s1
Synonyms:	S-ADENOSYL-L-HOMOCYSTEINE
Definition date:	2016-04-08
Last modified:	2020-06-17
Release date:	2017-03-15
Identifier:	5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine

T4F

T4F
Name:	(2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid
Formula:	C25 H46 N4 O5 S
SMILES:	CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)N[S](=O)(=O)N[CH](CCCCN)C(O)=O
InChi:	InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1
Synonyms:	tafCPB
Definition date:	2016-09-28
Last modified:	2020-06-17
Release date:	2016-10-26
Identifier:	(2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid

UPL

UPL
Name:	UNKNOWN BRANCHED FRAGMENT OF PHOSPHOLIPID
Formula:	C34 H70
SMILES:	C(CCCCCCCC(CCCCCCCCC)CCCCCCCCCCC)CCCCC
InChi:	InChI=1S/C34H70/c1-4-7-10-13-16-18-19-21-24-27-30-33-34(31-28-25-22-15-12-9-6-3)32-29-26-23-20-17-14-11-8-5-2/h34H,4-33H2,1-3H3
Synonyms:	UNKNOWN PHOSPHOLIPID FRAGMENT
Definition date:	2002-06-13
Last modified:	2020-06-17
Identifier:	12-nonylpentacosane

SAS

SAS
Name:	2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID
Formula:	C18 H14 N4 O5 S
SMILES:	O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3
InChi:	InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+
Synonyms:	SULFASALAZINE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	2-hydroxy-5-{(E)-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl}benzoic acid

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:	2020-06-17
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

YT5

YT5
Name:	Moiramide B
Formula:	C25 H31 N3 O5
SMILES:	CC=CC=CC(=O)N[CH](CC(=O)N[CH](C(C)C)C(=O)[CH]1[CH](C)C(=O)NC1=O)c2ccccc2
InChi:	InChI=1S/C25H31N3O5/c1-5-6-8-13-19(29)26-18(17-11-9-7-10-12-17)14-20(30)27-22(15(2)3)23(31)21-16(4)24(32)28-25(21)33/h5-13,15-16,18,21-22H,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,32,33)/b6-5+,13-8+/t16-,18-,21+,22-/m0/s1
Synonyms:	(2~{E},4~{E})-~{N}-[(1~{S})-3-[[(2~{S})-3-methyl-1-[(3~{R},4~{S})-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxi danylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]hexa-2,4-dienamide
Definition date:	2016-06-09
Last modified:	2020-06-17
Release date:	2016-08-10
Identifier:	(2~{E},4~{E})-~{N}-[(1~{S})-3-[[(2~{S})-3-methyl-1-[(3~{R},4~{S})-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]hexa-2,4-dienamide

NSE

NSE
Name:	3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Formula:	C14 H8 N4 O
SMILES:	N#Cc3cccc(c1nc(no1)c2cnccc2)c3
InChi:	InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H
Synonyms:	NS9283
Definition date:	2013-12-26
Last modified:	2020-06-17
Release date:	2014-07-08
Identifier:	3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

SAU

SAU
Name:	13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium
Formula:	C20 H14 N O4
SMILES:	O1c3c(OC1)c2c[n+](c5c(c2cc3)ccc6cc4OCOc4cc56)C
InChi:	InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
Synonyms:	Sanguinarine
Definition date:	2010-07-25
Last modified:	2020-06-17
Identifier:	13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium

SPL

SPL
Name:	OCTANOIC ACID (2-HYDROXY-1-HYDROXYMETHYL-HEPTADEC-3-ENYL)-AMIDE
Formula:	C26 H51 N O3
SMILES:	O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC
InChi:	InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h19,21,24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/t24?,25-/m1/s1
Synonyms:	CERAMIDE
Definition date:	2003-11-05
Last modified:	2020-06-17
Identifier:	N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]octanamide

RVI

RVI
Name:	(2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide
Formula:	C29 H37 N3 O
SMILES:	O=C(NCC1CCCCC1)C(CCC)Cc2cc3cc(ccc3nc2N)c4ccccc4C
InChi:	InChI=1S/C29H37N3O/c1-3-9-23(29(33)31-19-21-11-5-4-6-12-21)17-25-18-24-16-22(14-15-27(24)32-28(25)30)26-13-8-7-10-20(26)2/h7-8,10,13-16,18,21,23H,3-6,9,11-12,17,19H2,1-2H3,(H2,30,32)(H,31,33)/t23-/m1/s1
Synonyms:	2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide
Definition date:	2011-05-10
Last modified:	2020-06-17
Identifier:	(2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide

R39

R39
Name:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
Formula:	C27 H35 N5 O3
SMILES:	O=C(Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C)Nc4ccc(OCCN3CCOCC3)cc4
InChi:	InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
Synonyms:	1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)phenyl)urea
Definition date:	2009-06-17
Last modified:	2020-06-17
Identifier:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea

TXQ

TXQ
Name:	1,2,5,8-tetrahydroxyanthracene-9,10-dione
Formula:	C14 H8 O6
SMILES:	O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O
InChi:	InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
Synonyms:	1,2,5,8-tetrahydroxy-anthraquinone
Definition date:	2008-12-22
Last modified:	2020-06-17
Identifier:	1,2,5,8-tetrahydroxyanthracene-9,10-dione

TXS

TXS
Name:	1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Formula:	C14 H21 N3 O4
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCC3
InChi:	InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1
Synonyms:	5'-deoxy-5'-pyrrolidin-1-ylthymidine
Definition date:	2008-05-28
Last modified:	2020-06-17
Identifier:	1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

TJE

TJE
Name:	(2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
Formula:	C24 H31 N2 O7 P
SMILES:	O=C(O)C(CCc1ccccc1)CP(=O)(O)C(NC(=O)C(NC(=O)C)Cc2ccc(O)cc2)C
InChi:	InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1
Synonyms:	Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH
Definition date:	2014-12-17
Last modified:	2020-06-17
Release date:	2016-01-20
Identifier:	(2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid

SAZ

SAZ
Name:	(1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM
Formula:	C14 H26 N
SMILES:	C1=C(C)CCC([NH+](C)CCC=C(/C)C)C1
InChi:	InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m0/s1
Synonyms:	(4S)-7-AZABISABOLENE
Definition date:	2005-03-04
Last modified:	2020-06-17
Identifier:	(1R)-N,4-dimethyl-N-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-aminium

X04

X04
Name:	(2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:	C8 H11 N2 O6 P
SMILES:	O=Cc1c(O)c(nc(N)c1COP(=O)(O)O)C
InChi:	InChI=1S/C8H11N2O6P/c1-4-7(12)5(2-11)6(8(9)10-4)3-16-17(13,14)15/h2,12H,3H2,1H3,(H2,9,10)(H2,13,14,15)
Synonyms:	6-AMINO-PYRIDOXAL-5'-PHOSPHATE
Definition date:	2003-10-27
Last modified:	2020-06-17
Identifier:	(2-amino-4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

SPU

SPU
Name:	2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium
Formula:	C23 H50 N2 O5 P
SMILES:	O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
InChi:	InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1
Synonyms:	sphingosylphosphorylcholine, sphingosine phosphorylcholine
Definition date:	2009-07-28
Last modified:	2020-06-17
Identifier:	2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium

TY0

TY0
Name:	(3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one
Formula:	C14 H21 N O3
SMILES:	O=C(CO)C(N)Cc1ccc(OC(C)(C)C)cc1
InChi:	InChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)8-12(15)13(17)9-16/h4-7,12,16H,8-9,15H2,1-3H3/t12-/m0/s1
Synonyms:	Z-Phe-Tyr(OBut)-COCHO
Definition date:	2010-11-01
Last modified:	2020-06-17
Identifier:	(3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one

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