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PDB Info pages Status search Chemie search: 7553 results BIRD

X5I

X5I
Name:	(6M)-4-{[(2R)-azepan-2-yl]methyl}-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
Formula:	C21 H23 N5 O2
SMILES:	O=C1COc2ccc(nc2N1CC1CCCCCN1)c1cnc2ccccn21
InChi:	InChI=1S/C21H23N5O2/c27-20-14-28-18-9-8-16(17-12-23-19-7-3-5-11-25(17)19)24-21(18)26(20)13-15-6-2-1-4-10-22-15/h3,5,7-9,11-12,15,22H,1-2,4,6,10,13-14H2/t15-/m1/s1
Definition date:	2023-10-23
Last modified:	2024-11-01
Release date:	2024-11-06
Identifier:	(6M)-4-{[(2R)-azepan-2-yl]methyl}-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

XBN

XBN
Name:	(2~{S})-2-(2-hexylhydrazinyl)-3-oxidanyl-propanoic acid
Formula:	C9 H20 N2 O3
SMILES:	CCCCCCNN[CH](CO)C(O)=O
InChi:	InChI=1S/C9H20N2O3/c1-2-3-4-5-6-10-11-8(7-12)9(13)14/h8,10-12H,2-7H2,1H3,(H,13,14)/t8-/m0/s1
Definition date:	2023-10-27
Last modified:	2024-10-25
Release date:	2024-10-30
Identifier:	(2~{S})-2-(2-hexylhydrazinyl)-3-oxidanyl-propanoic acid

XUQ

XUQ
Name:	(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
Formula:	C10 H20 O
SMILES:	CC(C)C1CCC(C)CC1O
InChi:	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
Synonyms:	L-menthol
Definition date:	2023-11-13
Last modified:	2024-10-25
Release date:	2024-10-30
Identifier:	(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol

A1A7R

A1A7R
Name:	3-[(2S)-2-{[(2R,3S,3aR,5aS,6R,11bR,11cS)-10-hydroxy-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,4,5,6,7,11c-octahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-1-yl]oxy}-2,3-dihydro-1H-imidazol-4-yl]-L-alanine
Formula:	C34 H43 N5 O5
SMILES:	O=C(O)C(N)CC=1NC(NC=1)ON1C(c2ccccc2)C2(C)CC34CCC2(OC)C1C14CCN(C)C3Cc2ccc(O)cc21
InChi:	InChI=1S/C34H43N5O5/c1-31-19-32-11-12-34(31,43-3)29(33(32)13-14-38(2)26(32)15-21-9-10-23(40)17-24(21)33)39(27(31)20-7-5-4-6-8-20)44-30-36-18-22(37-30)16-25(35)28(41)42/h4-10,17-18,25-27,29-30,36-37,40H,11-16,19,35H2,1-3H3,(H,41,42)/t25-,26+,27+,29-,30-,31-,32+,33-,34-/m0/s1
Definition date:	2024-09-17
Last modified:	2024-10-23
Release date:	2024-09-25
Identifier:	3-[(2S)-2-{[(2R,3S,3aR,5aS,6R,11bR,11cS)-10-hydroxy-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,4,5,6,7,11c-octahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-1-yl]oxy}-2,3-dihydro-1H-imidazol-4-yl]-L-alanine

Y6O

Y6O
Name:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid
Formula:	C36 H54 O14
SMILES:	CC[CH]1CCC[CH](O[CH]2O[CH](CO)[CH](O)[CH](O[CH](CC3CCCCC3)C(O)=O)[CH]2OC(=O)c4ccccc4)[CH]1O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O
InChi:	InChI=1S/C36H54O14/c1-3-21-15-10-16-23(30(21)50-35-29(41)28(40)26(38)19(2)45-35)47-36-32(49-34(44)22-13-8-5-9-14-22)31(27(39)25(18-37)48-36)46-24(33(42)43)17-20-11-6-4-7-12-20/h5,8-9,13-14,19-21,23-32,35-41H,3-4,6-7,10-12,15-18H2,1-2H3,(H,42,43)/t19-,21-,23+,24-,25+,26+,27-,28+,29-,30+,31-,32+,35-,36+/m0/s1
Definition date:	2023-11-23
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid

Y6T

Y6T
Name:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S},5~{R})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[3-[1-[3-oxidanylidene-3-[(3,6,8-trisulfonaphthalen-1-yl)amino]propyl]-1,2,3-triazol-4-yl]propylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid
Formula:	C55 H73 N5 O25 S3
SMILES:	CC[CH]1C[CH](C[CH](O[CH]2O[CH](CO)[CH](O)[CH](O[CH](CC3CCCCC3)C(O)=O)[CH]2OC(=O)c4ccccc4)[CH]1O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O)C(=O)NCCCc6cn(CCC(=O)Nc7cc(cc8cc(cc(c78)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O)nn6
InChi:	InChI=1S/C55H73N5O25S3/c1-3-30-20-33(51(67)56-17-10-15-34-26-60(59-58-34)18-16-42(62)57-37-24-35(86(71,72)73)21-32-22-36(87(74,75)76)25-41(43(32)37)88(77,78)79)23-38(48(30)85-54-47(66)46(65)44(63)28(2)80-54)82-55-50(84-53(70)31-13-8-5-9-14-31)49(45(64)40(27-61)83-55)81-39(52(68)69)19-29-11-6-4-7-12-29/h5,8-9,13-14,21-22,24-26,28-30,33,38-40,44-50,54-55,61,63-66H,3-4,6-7,10-12,15-20,23,27H2,1-2H3,(H,56,67)(H,57,62)(H,68,69)(H,71,72,73)(H,74,75,76)(H,77,78,79)/t28-,30-,33+,38+,39-,40+,44+,45-,46+,47-,48+,49-,50+,54-,55+/m0/s1
Definition date:	2023-11-23
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S},5~{R})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[3-[1-[3-oxidanylidene-3-[(3,6,8-trisulfonaphthalen-1-yl)amino]propyl]-1,2,3-triazol-4-yl]propylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid

A1BCT

A1BCT
Name:	1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one
Formula:	C16 H18 Cl N5 O2
SMILES:	O=C(CC)N1CCOCC1c1cc(cc(Cl)c1)c1ncnc(N)n1
InChi:	InChI=1S/C16H18ClN5O2/c1-2-14(23)22-3-4-24-8-13(22)10-5-11(7-12(17)6-10)15-19-9-20-16(18)21-15/h5-7,9,13H,2-4,8H2,1H3,(H2,18,19,20,21)
Definition date:	2024-10-04
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one

PIJ

PIJ
Name:	[(2S)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] heptadecanoate
Formula:	C42 H81 O13 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C42H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)54-34(33-53-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49)32-52-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37-42,45-49H,3-33H2,1-2H3,(H,50,51)/t34-,37-,38-,39+,40+,41-,42-/m0/s1
Definition date:	2011-03-08
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(2S)-1-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl heptadecanoate

WU3

WU3
Name:	(2S)-2-dodecylsulfanylpropanoic acid
Formula:	C15 H30 O2 S
SMILES:	CCCCCCCCCCCCS[CH](C)C(O)=O
InChi:	InChI=1S/C15H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18-14(2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m0/s1
Definition date:	2023-10-13
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(2~{S})-2-dodecylsulfanylpropanoic acid

WU8

WU8
Name:	3-dodecylsulfanyl-2,2-dimethyl-propanoic acid
Formula:	C17 H34 O2 S
SMILES:	CCCCCCCCCCCCSCC(C)(C)C(O)=O
InChi:	InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-17(2,3)16(18)19/h4-15H2,1-3H3,(H,18,19)
Definition date:	2023-10-13
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	3-dodecylsulfanyl-2,2-dimethyl-propanoic acid

WWK

WWK
Name:	3-dodecylsulfanylpropanoic acid
Formula:	C15 H30 O2 S
SMILES:	CCCCCCCCCCCCSCCC(O)=O
InChi:	InChI=1S/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17/h2-14H2,1H3,(H,16,17)
Definition date:	2023-10-16
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	3-dodecylsulfanylpropanoic acid

X3F

X3F
Name:	5-(1,4-oxazepan-4-yl)-6-propanoylpyridine-2-carbonitrile
Formula:	C14 H17 N3 O2
SMILES:	CCC(=O)c1nc(C#N)ccc1N1CCCOCC1
InChi:	InChI=1S/C14H17N3O2/c1-2-13(18)14-12(5-4-11(10-15)16-14)17-6-3-8-19-9-7-17/h4-5H,2-3,6-9H2,1H3
Definition date:	2023-10-20
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	5-(1,4-oxazepan-4-yl)-6-propanoylpyridine-2-carbonitrile

X4N

X4N
Name:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C24 H36 F3 N5 O4
SMILES:	CC1(C)C2C(C(=O)NC(C=N)CC3CCCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C24H36F3N5O4/c1-22(2,3)17(31-21(36)24(25,26)27)20(35)32-11-14-15(23(14,4)5)16(32)19(34)30-13(10-28)9-12-7-6-8-29-18(12)33/h10,12-17,28H,6-9,11H2,1-5H3,(H,29,33)(H,30,34)(H,31,36)/b28-10+/t12-,13-,14-,15-,16-,17+/m0/s1
Definition date:	2023-10-22
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

U8S

U8S
Name:	3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine
Formula:	C6 H11 N3 O3
SMILES:	NC(CC1=CNC(O)N1)C(=O)O
InChi:	InChI=1S/C6H11N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4,6,8-9,12H,1,7H2,(H,10,11)/t4-,6-/m0/s1
Definition date:	2022-08-10
Last modified:	2024-10-15
Release date:	2023-10-18
Identifier:	3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine

YC3

YC3
Name:	3-[2-(sulfanylmethyl)phenyl]-L-phenylalanine
Formula:	C16 H17 N O2 S
SMILES:	SCc1ccccc1c1cccc(CC(N)C(=O)O)c1
InChi:	InChI=1S/C16H17NO2S/c17-15(16(18)19)9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-20/h1-8,15,20H,9-10,17H2,(H,18,19)/t15-/m0/s1
Definition date:	2023-01-23
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	3-[2-(sulfanylmethyl)phenyl]-L-phenylalanine

YD5

YD5
Name:	N-(2-carboxyethyl)-L-alanine
Formula:	C6 H11 N O4
SMILES:	OC(=O)CCNC(C)C(=O)O
InChi:	InChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2023-01-25
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	N-(2-carboxyethyl)-L-alanine

WFH

WFH
Name:	(2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}propanoic acid (non-preferred name)
Formula:	C13 H19 N6 O8 P
SMILES:	O=C(O)C(C)NP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H19N6O8P/c1-5(13(22)23)18-28(24,25)26-2-6-8(20)9(21)12(27-6)19-4-17-7-10(14)15-3-16-11(7)19/h3-6,8-9,12,20-21H,2H2,1H3,(H,22,23)(H2,14,15,16)(H2,18,24,25)/t5-,6+,8+,9+,12+/m0/s1
Synonyms:	Alanyl-5'-O-adenosine phosphoramidate
Definition date:	2023-10-02
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}propanoic acid (non-preferred name)

WUE

WUE
Name:	(2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid
Formula:	C25 H20 O3
SMILES:	OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3cccc4ccccc34
InChi:	InChI=1S/C25H20O3/c26-25(27)24(17-18-7-2-1-3-8-18)28-21-15-13-20(14-16-21)23-12-6-10-19-9-4-5-11-22(19)23/h1-16,24H,17H2,(H,26,27)/t24-/m0/s1
Definition date:	2023-10-13
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid

33W

33W
Name:	3-(5-bromothiophen-2-yl)-L-alanine
Formula:	C7 H8 Br N O2 S
SMILES:	Brc1sc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C7H8BrNO2S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)/t5-/m0/s1
Definition date:	2014-06-13
Last modified:	2024-10-09
Release date:	2014-11-12
Identifier:	3-(5-bromothiophen-2-yl)-L-alanine

A1AJB

A1AJB
Name:	(1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide
Formula:	C43 H58 F N5 O3
SMILES:	CCN(CC)C(=O)c1cc(ccc1F)c1cc(cc(c1)C(=O)NC(CC1CCCCC1)C(=O)NC)CN1CCN(CCCCc2ccccc2)CC1
InChi:	InChI=1S/C43H58FN5O3/c1-4-49(5-2)43(52)38-30-35(19-20-39(38)44)36-26-34(31-48-24-22-47(23-25-48)21-13-12-16-32-14-8-6-9-15-32)27-37(29-36)41(50)46-40(42(51)45-3)28-33-17-10-7-11-18-33/h6,8-9,14-15,19-20,26-27,29-30,33,40H,4-5,7,10-13,16-18,21-25,28,31H2,1-3H3,(H,45,51)(H,46,50)
Definition date:	2024-04-02
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide

A1APF

A1APF
Name:	(5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide
Formula:	C37 H45 N7 O3
SMILES:	Cn1cc(cn1)c1cnc(N)c(c1)C(=O)NC1CCCC1OCc1ccc(cc1)c1ccc(cc1)C(C)(C)N1CCN(CC=O)CC1
InChi:	InChI=1S/C37H45N7O3/c1-37(2,44-17-15-43(16-18-44)19-20-45)31-13-11-28(12-14-31)27-9-7-26(8-10-27)25-47-34-6-4-5-33(34)41-36(46)32-21-29(22-39-35(32)38)30-23-40-42(3)24-30/h7-14,20-24,33-34H,4-6,15-19,25H2,1-3H3,(H2,38,39)(H,41,46)/t33-,34+/m1/s1
Definition date:	2024-04-22
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide

A1A4O

A1A4O
Name:	(3S,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)-2,3-dihydroquinolin-4(1H)-one
Formula:	C24 H27 F N4 O3
SMILES:	CC(C)N1CC(c2ccccc2C)C(=O)c2cc(F)c(cc21)N1N=C(CO)N(CC)C1=O
InChi:	InChI=1S/C24H27FN4O3/c1-5-27-22(13-30)26-29(24(27)32)21-11-20-17(10-19(21)25)23(31)18(12-28(20)14(2)3)16-9-7-6-8-15(16)4/h6-11,14,18,30H,5,12-13H2,1-4H3/t18-/m1/s1
Definition date:	2024-09-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(3S,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)-2,3-dihydroquinolin-4(1H)-one

WHT

WHT
Name:	(2~{R})-2-azanyl-3-phosphono-propanoic acid
Formula:	C3 H8 N O5 P
SMILES:	N[CH](C[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
Definition date:	2023-10-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(2~{R})-2-azanyl-3-phosphono-propanoic acid

WIZ

WIZ
Name:	3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid
Formula:	C25 H23 Br N4 O5
SMILES:	C[CH](NC(=O)CC(=O)Nc1ccc(cc1)C(N)=N)c2ccc(Oc3cccc(c3)C(O)=O)c(Br)c2
InChi:	InChI=1S/C25H23BrN4O5/c1-14(29-22(31)13-23(32)30-18-8-5-15(6-9-18)24(27)28)16-7-10-21(20(26)12-16)35-19-4-2-3-17(11-19)25(33)34/h2-12,14H,13H2,1H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)/t14-/m0/s1
Definition date:	2023-10-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid

YRV

YRV
Name:	S-[(3-methylphenyl)methyl]-L-cysteine
Formula:	C11 H15 N O2 S
SMILES:	O=C(O)C(N)CSCc1cccc(C)c1
InChi:	InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1
Definition date:	2021-03-29
Last modified:	2024-10-02
Release date:	2024-04-24
Identifier:	S-[(3-methylphenyl)methyl]-L-cysteine

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