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PDB Info pages Status search Chemie search: 7553 results BIRD

A1I03

A1I03
Name:	~{N}-[(2~{S})-2-methyl-2-oxidanyl-3-[[(2~{S})-2-pyrrol-1-ylpropanoyl]amino]propyl]-1~{H}-pyrazole-3-carboxamide
Formula:	C15 H21 N5 O3
SMILES:	C[CH](n1cccc1)C(=O)NC[C](C)(O)CNC(=O)c2cc[nH]n2
InChi:	InChI=1S/C15H21N5O3/c1-11(20-7-3-4-8-20)13(21)16-9-15(2,23)10-17-14(22)12-5-6-18-19-12/h3-8,11,23H,9-10H2,1-2H3,(H,16,21)(H,17,22)(H,18,19)/t11-,15-/m0/s1
Definition date:	2025-02-03
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	~{N}-[(2~{S})-2-methyl-2-oxidanyl-3-[[(2~{S})-2-pyrrol-1-ylpropanoyl]amino]propyl]-1~{H}-pyrazole-3-carboxamide

A1BCY

A1BCY
Name:	N-[(2S)-3-cyclopropyl-1-{[(1Z,2S)-1-imino-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:	C21 H28 N4 O5 S
SMILES:	CS(=O)(=O)CCC(C=N)NC(=O)C(CC1CC1)NC(=O)c1cc2c(cccc2OC)[NH]1
InChi:	InChI=1S/C21H28N4O5S/c1-30-19-5-3-4-16-15(19)11-18(24-16)21(27)25-17(10-13-6-7-13)20(26)23-14(12-22)8-9-31(2,28)29/h3-5,11-14,17,22,24H,6-10H2,1-2H3,(H,23,26)(H,25,27)/b22-12+/t14-,17-/m0/s1
Definition date:	2024-10-07
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	N-[(2S)-3-cyclopropyl-1-{[(1Z,2S)-1-imino-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide

A1BCZ

A1BCZ
Name:	N-[(2S)-3-cyclopropyl-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:	C23 H29 N5 O4
SMILES:	COc1cccc2[NH]c(cc12)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)C=N
InChi:	InChI=1S/C23H29N5O4/c1-32-20-4-2-3-17-16(20)11-19(27-17)23(31)28-18(9-13-5-6-13)22(30)26-15(12-24)10-14-7-8-25-21(14)29/h2-4,11-15,18,24,27H,5-10H2,1H3,(H,25,29)(H,26,30)(H,28,31)/b24-12+/t14-,15+,18-/m0/s1
Definition date:	2024-10-07
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	N-[(2S)-3-cyclopropyl-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide

A1BNB

A1BNB
Name:	methyl 5-methyl-L-tryptophanate
Formula:	C13 H16 N2 O2
SMILES:	O=C(OC)C(N)Cc1c[NH]c2ccc(C)cc21
InChi:	InChI=1S/C13H16N2O2/c1-8-3-4-12-10(5-8)9(7-15-12)6-11(14)13(16)17-2/h3-5,7,11,15H,6,14H2,1-2H3/t11-/m0/s1
Definition date:	2025-01-02
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	methyl 5-methyl-L-tryptophanate

A1L1B

A1L1B
Name:	(2~{R})-~{N}-[(1~{S})-1-(4-fluorophenyl)ethyl]-2-[[(2~{R})-2-oxidanylpropanoyl]-(6-phenylpyridin-3-yl)amino]-2-pyridin-3-yl-propanamide
Formula:	C30 H29 F N4 O3
SMILES:	C[CH](O)C(=O)N(c1ccc(nc1)c2ccccc2)[C](C)(C(=O)N[CH](C)c3ccc(F)cc3)c4cccnc4
InChi:	InChI=1S/C30H29FN4O3/c1-20(22-11-13-25(31)14-12-22)34-29(38)30(3,24-10-7-17-32-18-24)35(28(37)21(2)36)26-15-16-27(33-19-26)23-8-5-4-6-9-23/h4-21,36H,1-3H3,(H,34,38)/t20-,21+,30+/m0/s1
Definition date:	2024-04-26
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(2~{R})-~{N}-[(1~{S})-1-(4-fluorophenyl)ethyl]-2-[[(2~{R})-2-oxidanylpropanoyl]-(6-phenylpyridin-3-yl)amino]-2-pyridin-3-yl-propanamide

A1L4V

A1L4V
Name:	2-methyl-2-[[4-oxidanyl-2-oxidanylidene-1-(1,3-thiazol-4-ylmethoxy)quinolin-3-yl]carbonylamino]propanoic acid
Formula:	C18 H17 N3 O6 S
SMILES:	CC(C)(NC(=O)C1=C(O)c2ccccc2N(OCc3cscn3)C1=O)C(O)=O
InChi:	InChI=1S/C18H17N3O6S/c1-18(2,17(25)26)20-15(23)13-14(22)11-5-3-4-6-12(11)21(16(13)24)27-7-10-8-28-9-19-10/h3-6,8-9,22H,7H2,1-2H3,(H,20,23)(H,25,26)
Definition date:	2024-10-09
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	2-methyl-2-[[4-oxidanyl-2-oxidanylidene-1-(1,3-thiazol-4-ylmethoxy)quinolin-3-yl]carbonylamino]propanoic acid

A1BZB

A1BZB
Name:	3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)phenyl]-N-(propan-2-yl)benzene-1-sulfonamide
Formula:	C18 H17 Cl N2 O3 S
SMILES:	Clc1cccc(c1)S(=O)(=O)N(c1cccc(c1)c1cnco1)C(C)C
InChi:	InChI=1S/C18H17ClN2O3S/c1-13(2)21(25(22,23)17-8-4-6-15(19)10-17)16-7-3-5-14(9-16)18-11-20-12-24-18/h3-13H,1-2H3
Definition date:	2025-03-06
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)phenyl]-N-(propan-2-yl)benzene-1-sulfonamide

A1L6M

A1L6M
Name:	3-[5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[4-(hydroxymethyl)-3-(3-hydroxy-3-oxopropyl)-5-[(~{Z})-[3-methyl-5-oxidanylidene-4-[(1~{S},4~{E},8~{Z})-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
Formula:	C48 H62 N4 O8
SMILES:	CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)[CH](O)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C3CCC(O)=O)CO)c(CCC(O)=O)c2C
InChi:	InChI=1S/C48H62N4O8/c1-9-33-31(7)47(59)52-39(33)23-37-30(6)34(19-21-44(55)56)40(49-37)25-41-35(20-22-45(57)58)36(26-53)42(50-41)24-38-32(8)46(48(60)51-38)43(54)18-12-17-29(5)16-11-15-28(4)14-10-13-27(2)3/h13,15,17,23-25,43,49,53-54H,9-12,14,16,18-22,26H2,1-8H3,(H,51,60)(H,52,59)(H,55,56)(H,57,58)/b28-15-,29-17+,38-24-,39-23-,41-25-/t43-/m0/s1
Definition date:	2024-12-04
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-[5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[4-(hydroxymethyl)-3-(3-hydroxy-3-oxopropyl)-5-[(~{Z})-[3-methyl-5-oxidanylidene-4-[(1~{S},4~{E},8~{Z})-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

A1B9M

A1B9M
Name:	(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(propan-2-yl)acetamide
Formula:	C20 H22 Cl N5 O
SMILES:	CC(C)NC(=O)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH]ncc12
InChi:	InChI=1S/C20H22ClN5O/c1-11(2)24-20(27)19(16-6-14(21)7-18-17(16)10-23-26-18)25-15-4-3-12-8-22-9-13(12)5-15/h3-7,10-11,19,22,25H,8-9H2,1-2H3,(H,23,26)(H,24,27)/t19-/m1/s1
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(propan-2-yl)acetamide

A1B9O

A1B9O
Name:	N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-4-carboxamide
Formula:	C18 H20 N4 O
SMILES:	NCc1cc(ccc1)NC(=O)c1cccc2[NH]c(nc12)C(C)C
InChi:	InChI=1S/C18H20N4O/c1-11(2)17-21-15-8-4-7-14(16(15)22-17)18(23)20-13-6-3-5-12(9-13)10-19/h3-9,11H,10,19H2,1-2H3,(H,20,23)(H,21,22)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-4-carboxamide

XDQ

XDQ
Name:	(2~{R})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide
Formula:	C21 H21 Cl2 F3 N4 O4
SMILES:	C[C](N(C(=O)[CH](F)Cl)c1ccc(OC(F)(F)Cl)cc1)(C(=O)NC2CCOCC2)c3cncnc3
InChi:	InChI=1S/C21H21Cl2F3N4O4/c1-20(13-10-27-12-28-11-13,19(32)29-14-6-8-33-9-7-14)30(18(31)17(22)24)15-2-4-16(5-3-15)34-21(23,25)26/h2-5,10-12,14,17H,6-9H2,1H3,(H,29,32)/t17-,20-/m1/s1
Definition date:	2023-10-27
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2~{R})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide

XRW

XRW
Name:	N~6~-[(2S)-2-hydroxypropanoyl]-L-lysine
Formula:	C9 H18 N2 O4
SMILES:	O=C(NCCCCC(N)C(=O)O)C(C)O
InChi:	InChI=1S/C9H18N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1
Definition date:	2022-12-06
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N~6~-[(2S)-2-hydroxypropanoyl]-L-lysine

Y65

Y65
Name:	(2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid
Formula:	C21 H30 N8 O15 P2
SMILES:	N[CH](Cc1cn(cn1)[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)C(O)=O
InChi:	InChI=1S/C21H30N8O15P2/c22-9(21(34)35)1-8-2-28(6-26-8)19-15(32)13(30)10(42-19)3-40-45(36,37)44-46(38,39)41-4-11-14(31)16(33)20(43-11)29-7-27-12-17(23)24-5-25-18(12)29/h2,5-7,9-11,13-16,19-20,30-33H,1,3-4,22H2,(H,34,35)(H,36,37)(H,38,39)(H2,23,24,25)/t9-,10+,11+,13+,14+,15+,16+,19+,20+/m0/s1
Definition date:	2023-11-21
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid

A1IRQ

A1IRQ
Name:	(2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
Formula:	C22 H24 N2 O6 S
SMILES:	OC(=O)[CH]1CC[CH](N1C(=O)CNC(=O)[CH](S)Cc2ccc(O)cc2)c3cccc(O)c3
InChi:	InChI=1S/C22H24N2O6S/c25-15-6-4-13(5-7-15)10-19(31)21(28)23-12-20(27)24-17(8-9-18(24)22(29)30)14-2-1-3-16(26)11-14/h1-7,11,17-19,25-26,31H,8-10,12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1
Definition date:	2024-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid

A1IRR

A1IRR
Name:	(2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
Formula:	C23 H26 N2 O4 S
SMILES:	Cc1ccc(cc1)[CH]2CC[CH](N2C(=O)CNC(=O)[CH](S)Cc3ccccc3)C(O)=O
InChi:	InChI=1S/C23H26N2O4S/c1-15-7-9-17(10-8-15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-5-3-2-4-6-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1
Definition date:	2024-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid

A1IRS

A1IRS
Name:	(2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid
Formula:	C26 H32 N4 O4 S
SMILES:	NCCCC[CH](NC(=O)[CH](S)Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O
InChi:	InChI=1S/C26H32N4O4S/c27-13-7-6-12-21(29-25(32)23(35)14-17-8-2-1-3-9-17)24(31)30-22(26(33)34)15-18-16-28-20-11-5-4-10-19(18)20/h1-5,8-11,16,21-23,28,35H,6-7,12-15,27H2,(H,29,32)(H,30,31)(H,33,34)/t21-,22-,23-/m0/s1
Definition date:	2024-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid

A1ALF

A1ALF
Name:	N-[(2R)-1-({(2S)-1-amino-3-[(2S,3R)-2-hydroxypyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-ethoxy[1,1'-biphenyl]-4-carboxamide
Formula:	C28 H40 N4 O4
SMILES:	OC1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1)c1ccc(OCC)cc1)CN
InChi:	InChI=1S/C28H40N4O4/c1-4-36-24-11-9-20(10-12-24)19-5-7-21(8-6-19)27(34)32-25(15-18(2)3)28(35)31-23(17-29)16-22-13-14-30-26(22)33/h5-12,18,22-23,25-26,30,33H,4,13-17,29H2,1-3H3,(H,31,35)(H,32,34)
Definition date:	2024-04-08
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	N-[(2R)-1-({(2S)-1-amino-3-[(2S,3R)-2-hydroxypyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-ethoxy[1,1'-biphenyl]-4-carboxamide

A1ALU

A1ALU
Name:	3-fluoro-N-[(2S)-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide
Formula:	C27 H33 F N4 O4
SMILES:	COc1ccc(cc1)c1ccc(c(F)c1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N
InChi:	InChI=1S/C27H33FN4O4/c1-16(2)12-24(27(35)31-20(15-29)13-19-10-11-30-25(19)33)32-26(34)22-9-6-18(14-23(22)28)17-4-7-21(36-3)8-5-17/h4-9,14-16,19-20,24,29H,10-13H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)/b29-15+/t19-,20?,24-/m0/s1
Definition date:	2024-04-10
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	3-fluoro-N-[(2S)-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide

A1ALV

A1ALV
Name:	N~2~-[(4M)-2-fluoro-4-(1-methyl-1H-indazol-5-yl)benzene-1-carbonyl]-N-{(1E,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C28 H33 F N6 O3
SMILES:	O=C1NCCC1CC(C=N)NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1F)c1cc2cnn(C)c2cc1
InChi:	InChI=1S/C28H33FN6O3/c1-16(2)10-24(28(38)33-21(14-30)12-19-8-9-31-26(19)36)34-27(37)22-6-4-18(13-23(22)29)17-5-7-25-20(11-17)15-32-35(25)3/h4-7,11,13-16,19,21,24,30H,8-10,12H2,1-3H3,(H,31,36)(H,33,38)(H,34,37)
Definition date:	2024-04-10
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	N~2~-[(4M)-2-fluoro-4-(1-methyl-1H-indazol-5-yl)benzene-1-carbonyl]-N-{(1E,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

A1ALX

A1ALX
Name:	3-chloro-N-[(2R)-1-({(1Z,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide
Formula:	C27 H33 Cl N4 O4
SMILES:	COc1ccc(cc1)c1ccc(c(Cl)c1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N
InChi:	InChI=1S/C27H33ClN4O4/c1-16(2)12-24(27(35)31-20(15-29)13-19-10-11-30-25(19)33)32-26(34)22-9-6-18(14-23(22)28)17-4-7-21(36-3)8-5-17/h4-9,14-16,19-20,24,29H,10-13H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)/b29-15+/t19-,20+,24-/m1/s1
Definition date:	2024-04-10
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	3-chloro-N-[(2R)-1-({(1Z,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide

A1H7Q

A1H7Q
Name:	1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one
Formula:	C13 H17 N O
SMILES:	CCC(=O)N1CCC[CH]1c2ccccc2
InChi:	InChI=1S/C13H17NO/c1-2-13(15)14-10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3/t12-/m1/s1
Definition date:	2024-04-04
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-[(2~{R})-2-phenylpyrrolidin-1-yl]propan-1-one

A1L1O

A1L1O
Name:	1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one
Formula:	C19 H18 F3 N O
SMILES:	CCC(=O)N1CCc2ccc(cc2C1)c3ccc(cc3)C(F)(F)F
InChi:	InChI=1S/C19H18F3NO/c1-2-18(24)23-10-9-14-3-4-15(11-16(14)12-23)13-5-7-17(8-6-13)19(20,21)22/h3-8,11H,2,9-10,12H2,1H3
Definition date:	2024-05-08
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one

A1ASV

A1ASV
Name:	N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
Formula:	C15 H16 F3 N3 O
SMILES:	CC(C)(C)C(=O)Nc1cc(ccc1n1ccnc1)C(F)(F)F
InChi:	InChI=1S/C15H16F3N3O/c1-14(2,3)13(22)20-11-8-10(15(16,17)18)4-5-12(11)21-7-6-19-9-21/h4-9H,1-3H3,(H,20,22)
Definition date:	2024-05-20
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

A1A5S

A1A5S
Name:	1-[(3S)-4-chloro-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
Formula:	C16 H21 Cl N2 O3
SMILES:	O=C(O)C(N)Cc1cn(c2ccccc21)C(C)(C)C(O)CCl
InChi:	InChI=1S/C16H21ClN2O3/c1-16(2,14(20)8-17)19-9-10(7-12(18)15(21)22)11-5-3-4-6-13(11)19/h3-6,9,12,14,20H,7-8,18H2,1-2H3,(H,21,22)/t12-,14+/m0/s1
Definition date:	2024-09-10
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-[(3S)-4-chloro-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan

ZI0

ZI0
Name:	N-MALONYL-PROLINE
Formula:	C8 H11 N O5
SMILES:	OC(=O)CC(=O)N1CCC[CH]1C(O)=O
InChi:	InChI=1S/C8H11NO5/c10-6(4-7(11)12)9-3-1-2-5(9)8(13)14/h5H,1-4H2,(H,11,12)(H,13,14)/t5-/m0/s1
Synonyms:	1-(3-oxidanyl-3-oxidanylidene-propanoyl)pyrrolidine-2-carboxylic acid
Definition date:	2024-01-22
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	1-(3-oxidanyl-3-oxidanylidene-propanoyl)pyrrolidine-2-carboxylic acid

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