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PDB Info pages Status search Chemie search: 36426 results BIRD

DQC

DQC
Name:	7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
Formula:	C9 H4 N4 O4
SMILES:	[O-][N+](=O)c1c(C#N)cc2c(c1)NC(=O)C(=O)N2
InChi:	InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
Definition date:	2008-01-03
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile

Q9O

Q9O
Name:	4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol
Formula:	C15 H17 N O2 S
SMILES:	CN(C)Cc1ccccc1Sc2ccc(O)cc2O
InChi:	InChI=1S/C15H17NO2S/c1-16(2)10-11-5-3-4-6-14(11)19-15-8-7-12(17)9-13(15)18/h3-9,17-18H,10H2,1-2H3
Definition date:	2023-08-29
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol

W5N

W5N
Name:	[(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate
Formula:	C23 H40 N2 O5
SMILES:	CO[CH]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C(C)C)OC(=O)N[CH]3CC[CH](N)CC3
InChi:	InChI=1S/C23H40N2O5/c1-14(2)6-11-18-23(4,30-18)20-19(28-5)17(12-13-22(20,3)27)29-21(26)25-16-9-7-15(24)8-10-16/h6,15-20,27H,7-13,24H2,1-5H3,(H,25,26)/t15-,16-,17-,18+,19-,20+,22-,23+/m1/s1
Synonyms:	(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl N-(trans-4-aminocyclohexyl)carbamate
Definition date:	2023-05-02
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate

WOZ

WOZ
Name:	(6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one
Formula:	C27 H24 O7
SMILES:	Cc1cc(O)cc2OC3(C)Cc4cc5c(c(O)c4C(O3)c21)C(=O)c1c(cc(O)cc1O)C5(C)C
InChi:	InChI=1S/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3/t25-,27-/m0/s1
Definition date:	2022-10-07
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	(6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one

VQC

VQC
Name:	[(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Formula:	C19 H29 N O4 S
SMILES:	C[C]12CC[CH]3[CH](CC=C4C[CH](CC[C]34C)O[S](N)(=O)=O)[CH]1CCC2=O
InChi:	InChI=1S/C19H29NO4S/c1-18-9-7-13(24-25(20,22)23)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H2,20,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1
Definition date:	2023-03-28
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate

VQH

VQH
Name:	[(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
Formula:	C20 H31 N O4 S
SMILES:	C[C]12CC[CH]3[CH](CC=C4C[CH](CC[C]34C)O[S](N)(=O)=O)[CH]1CC[CH]2C=O
InChi:	InChI=1S/C20H31NO4S/c1-19-9-7-15(25-26(21,23)24)11-13(19)3-5-16-17-6-4-14(12-22)20(17,2)10-8-18(16)19/h3,12,14-18H,4-11H2,1-2H3,(H2,21,23,24)/t14-,15+,16+,17+,18+,19+,20-/m1/s1
Definition date:	2023-03-28
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate

VQW

VQW
Name:	[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Formula:	C20 H33 N O4 S
SMILES:	C[CH]1CC(=O)[C]2(C)CC[CH]3[CH](CC[CH]4C[CH](CC[C]34C)O[S](N)(=O)=O)[CH]12
InChi:	InChI=1S/C20H33NO4S/c1-12-10-17(22)20(3)9-7-16-15(18(12)20)5-4-13-11-14(25-26(21,23)24)6-8-19(13,16)2/h12-16,18H,4-11H2,1-3H3,(H2,21,23,24)/t12-,13-,14-,15-,16+,18+,19+,20-/m1/s1
Definition date:	2023-03-29
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate

VR3

VR3
Name:	[(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
Formula:	C19 H31 N O3 S
SMILES:	C[C]12CCC[CH]1[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC2)O[S](N)(=O)=O
InChi:	InChI=1S/C19H31NO3S/c1-18-9-3-4-16(18)15-6-5-13-12-14(23-24(20,21)22)7-11-19(13,2)17(15)8-10-18/h5,14-17H,3-4,6-12H2,1-2H3,(H2,20,21,22)/t14-,15-,16-,17-,18-,19-/m0/s1
Definition date:	2023-03-29
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate

VRI

VRI
Name:	[(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
Formula:	C21 H35 N O4 S
SMILES:	CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](N)(=O)=O
InChi:	InChI=1S/C21H35NO4S/c1-13(23)17-6-7-18-16-5-4-14-12-15(26-27(22,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H2,22,24,25)/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
Definition date:	2023-03-29
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate

Y4E

Y4E
Name:	[(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol
Formula:	C10 H12 N2 S2
SMILES:	SC[CH]1SC[CH]2Nc3ccccc3N12
InChi:	InChI=1S/C10H12N2S2/c13-5-10-12-8-4-2-1-3-7(8)11-9(12)6-14-10/h1-4,9-11,13H,5-6H2/t9-,10-/m1/s1
Definition date:	2023-11-20
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol

VRN

VRN
Name:	[(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
Formula:	C18 H23 N O4 S
SMILES:	C[C]12CC[CH]3[CH](CCc4cc(O[S](N)(=O)=O)ccc34)[CH]1CCC2=O
InChi:	InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
Definition date:	2023-03-29
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate

VS9

VS9
Name:	[(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Formula:	C18 H25 N O3 S
SMILES:	C[C]12CCC[CH]1[CH]3CCc4cc(O[S](N)(=O)=O)ccc4[CH]3CC2
InChi:	InChI=1S/C18H25NO3S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H2,19,20,21)/t15-,16-,17+,18+/m1/s1
Definition date:	2023-03-30
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate

VSM

VSM
Name:	[(3~{S},5~{S},8~{S},13~{R},14~{R})-5,14-dimethyl-16-oxidanylidene-1,2,3,4,6,7,8,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Formula:	C19 H29 N O4 S
SMILES:	C[C]12CC[CH]3C(=C1CC[CH](C2)O[S](N)(=O)=O)CC[CH]4CC(=O)C[C]34C
InChi:	InChI=1S/C19H29NO4S/c1-18-8-7-17-15(5-3-12-9-13(21)10-19(12,17)2)16(18)6-4-14(11-18)24-25(20,22)23/h12,14,17H,3-11H2,1-2H3,(H2,20,22,23)/t12-,14+,17-,18+,19-/m1/s1
Definition date:	2023-03-31
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(3~{S},5~{S},8~{S},13~{R},14~{R})-5,14-dimethyl-16-oxidanylidene-1,2,3,4,6,7,8,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate

YQF

YQF
Name:	4,4,4-tris(fluoranyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one
Formula:	C15 H17 F4 N O
SMILES:	Fc1ccc(cc1)C2CCN(CC2)C(=O)CCC(F)(F)F
InChi:	InChI=1S/C15H17F4NO/c16-13-3-1-11(2-4-13)12-6-9-20(10-7-12)14(21)5-8-15(17,18)19/h1-4,12H,5-10H2
Definition date:	2023-12-09
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	4,4,4-tris(fluoranyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one

WCF

WCF
Name:	4-[(2~{S})-5-chloranyl-6-fluoranyl-2-phenyl-2-[(2~{S})-pyrrolidin-2-yl]-3~{H}-1-benzofuran-4-yl]-5-fluoranyl-6-(2-hydroxyethyloxy)-~{N}-methyl-pyridine-3-carboxamide
Formula:	C27 H26 Cl F2 N3 O4
SMILES:	CNC(=O)c1cnc(OCCO)c(F)c1c2c(Cl)c(F)cc3O[C](Cc23)([CH]4CCCN4)c5ccccc5
InChi:	InChI=1S/C27H26ClF2N3O4/c1-31-25(35)17-14-33-26(36-11-10-34)24(30)22(17)21-16-13-27(20-8-5-9-32-20,15-6-3-2-4-7-15)37-19(16)12-18(29)23(21)28/h2-4,6-7,12,14,20,32,34H,5,8-11,13H2,1H3,(H,31,35)/t20-,27-/m0/s1
Definition date:	2023-05-11
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	4-[(2~{S})-5-chloranyl-6-fluoranyl-2-phenyl-2-[(2~{S})-pyrrolidin-2-yl]-3~{H}-1-benzofuran-4-yl]-5-fluoranyl-6-(2-hydroxyethyloxy)-~{N}-methyl-pyridine-3-carboxamide

VV8

VV8
Name:	3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide
Formula:	C16 H23 F3 N2 O4 S2
SMILES:	CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1NC2CCCCCCC2)[S](N)(=O)=O
InChi:	InChI=1S/C16H23F3N2O4S2/c1-2-26(22,23)16-12(18)11(17)15(27(20,24)25)13(19)14(16)21-10-8-6-4-3-5-7-9-10/h10,21H,2-9H2,1H3,(H2,20,24,25)
Definition date:	2023-04-05
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide

S5R

S5R
Name:	(2~{R})-2-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid
Formula:	C12 H19 N2 O8 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(CN[C](C)(CO)C(O)=O)c1O
InChi:	InChI=1S/C12H19N2O8P/c1-7-10(16)9(4-14-12(2,6-15)11(17)18)8(3-13-7)5-22-23(19,20)21/h3,14-16H,4-6H2,1-2H3,(H,17,18)(H2,19,20,21)/t12-/m1/s1
Definition date:	2023-04-10
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	(2~{R})-2-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid

VX9

VX9
Name:	4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid
Formula:	C31 H56 O4
SMILES:	CC[CH](C)[CH](CCC[CH]1CC[CH]2C[CH](CC[C]2(C)C1)OC(=O)CCC(O)=O)[CH](C)CCCC(C)C
InChi:	InChI=1S/C31H56O4/c1-7-23(4)28(24(5)11-8-10-22(2)3)13-9-12-25-14-15-26-20-27(18-19-31(26,6)21-25)35-30(34)17-16-29(32)33/h22-28H,7-21H2,1-6H3,(H,32,33)/t23-,24+,25-,26-,27-,28-,31+/m0/s1
Definition date:	2023-09-02
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid

VXI

VXI
Name:	3-[[(3~{S})-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one
Formula:	C28 H38 N2 O5
SMILES:	COc1ccc(CCN2CCC[CH](C2)CN3CCc4cc(OC)c(OC)cc4CC3=O)cc1OC
InChi:	InChI=1S/C28H38N2O5/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31/h7-8,14-16,21H,5-6,9-13,17-19H2,1-4H3/t21-/m0/s1
Synonyms:	Cilobradine
Definition date:	2023-09-02
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	3-[[(3~{S})-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one

S93

S93
Name:	~{N}5-~{tert}-butyl-2-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
Formula:	C18 H21 Cl F N5 O2
SMILES:	CC(C)(C)NC(=O)N1CCn2nc(c3ccc(F)c(Cl)c3)c(C(N)=O)c2C1
InChi:	InChI=1S/C18H21ClFN5O2/c1-18(2,3)22-17(27)24-6-7-25-13(9-24)14(16(21)26)15(23-25)10-4-5-12(20)11(19)8-10/h4-5,8H,6-7,9H2,1-3H3,(H2,21,26)(H,22,27)
Definition date:	2023-04-11
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	~{N}5-~{tert}-butyl-2-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

YF8

YF8
Name:	N-[8-(4-{[(1R,3R,4S)-4-(4-chlorophenyl)-1-methyl-3-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}cyclohexyl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide
Formula:	C82 H104 Cl F3 N11 O11 S4
SMILES:	O=S(=O)(c1cc(ccc1NC(CSc1ccccc1)CCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC=1CC(C)(CCC=1c1ccc(Cl)cc1)CN1CCN(CC1)C(=O)CCCCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C)c1ccc(cc1)c1scnc1C)C(C)(C)C)C(F)(F)F
InChi:	InChI=1S/C82H105ClF3N11O11S4/c1-56(58-18-20-60(21-19-58)75-57(2)87-55-110-75)88-78(102)71-48-66(98)52-97(71)79(103)76(80(3,4)5)90-73(99)16-12-7-8-13-17-74(100)96-42-38-94(39-43-96)54-81(6)34-32-69(59-22-26-63(83)27-23-59)62(50-81)51-93-36-40-95(41-37-93)65-28-24-61(25-29-65)77(101)91-112(106,107)68-30-31-70(72(49-68)111(104,105)82(84,85)86)89-64(33-35-92-44-46-108-47-45-92)53-109-67-14-10-9-11-15-67/h9-11,14-15,18-31,49,55-56,64,66,71,76,89,98H,7-8,12-13,16-17,32-48,50-54H2,1-6H3,(H,88,102)(H,90,99)(H,91,101)/t56-,64+,66+,71-,76+,81+/m0/s1
Definition date:	2023-01-26
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	N-[8-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide

YFH

YFH
Name:	N-({4-[2-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-2-oxoethyl]piperazin-1-yl}acetyl)-3-methyl-L-valyl-(4S)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide
Formula:	C83 H105 Cl F3 N13 O11 S4
SMILES:	O=S(=O)(c1cc(ccc1NC(CSc1ccccc1)CCN1CC2CC1CO2)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC=1CC(C)(CCC=1c1ccc(Cl)cc1)CN1CCN(CC1)C(=O)CN1CCN(CC1)CC(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C)c1ccc(cc1)c1scnc1C)C(C)(C)C)C(F)(F)F
InChi:	InChI=1S/C83H105ClF3N13O11S4/c1-55(57-12-14-59(15-13-57)76-56(2)88-54-113-76)89-79(105)72-43-66(101)47-100(72)80(106)77(81(3,4)5)91-74(102)49-94-30-32-95(33-31-94)50-75(103)98-40-36-96(37-41-98)53-82(6)28-26-70(58-16-20-62(84)21-17-58)61(45-82)46-93-34-38-97(39-35-93)64-22-18-60(19-23-64)78(104)92-115(109,110)69-24-25-71(73(44-69)114(107,108)83(85,86)87)90-63(52-112-68-10-8-7-9-11-68)27-29-99-48-67-42-65(99)51-111-67/h7-25,44,54-55,63,65-67,72,77,90,101H,26-43,45-53H2,1-6H3,(H,89,105)(H,91,102)(H,92,104)/t55-,63+,65+,66-,67+,72-,77+,82+/m0/s1
Definition date:	2023-01-26
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	N-({4-[2-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-2-oxoethyl]piperazin-1-yl}acetyl)-3-methyl-L-valyl-(4S)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide

VL0

VL0
Name:	2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid
Formula:	C20 H17 N O5 S
SMILES:	OC(=O)c1cc(ccc1O)[S](=O)(=O)Nc2ccc(Cc3ccccc3)cc2
InChi:	InChI=1S/C20H17NO5S/c22-19-11-10-17(13-18(19)20(23)24)27(25,26)21-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13,21-22H,12H2,(H,23,24)
Definition date:	2023-09-13
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid

TJR

TJR
Name:	[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate
Formula:	C21 H43 O7 P
SMILES:	CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
InChi:	InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1
Definition date:	2023-04-25
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate

A1H69

A1H69
Name:	[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
Formula:	C21 H35 N O4 S
SMILES:	CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](N)(=O)=O
InChi:	InChI=1S/C21H35NO4S/c1-13(23)17-6-7-18-16-5-4-14-12-15(26-27(22,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H2,22,24,25)/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
Definition date:	2024-03-28
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate

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