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UWE

UWE
Name:	$l^{3}-oxidanylidynemethylnickel
Formula:	C Ni O
SMILES:	[Ni]C#[O+]
InChi:	InChI=1S/CO.Ni/c1-2
Definition date:	2021-03-23
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	oxidaniumylidynemethylnickel

MX0

MX0
Name:	(1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Formula:	C13 H16 N2 O8
SMILES:	O=C1N2C(=C(C)COC2C1(OC)NC(=O)C(C)C(=O)O)C(=O)O
InChi:	InChI=1S/C13H16N2O8/c1-5-4-23-12-13(22-3,14-8(16)6(2)9(17)18)11(21)15(12)7(5)10(19)20/h6,12H,4H2,1-3H3,(H,14,16)(H,17,18)(H,19,20)/t6-,12-,13+/m1/s1
Definition date:	2022-03-28
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	(1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

V08

V08
Name:	(2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid
Formula:	C7 H12 O4
SMILES:	CC(C)[CH](C=O)[CH](O)C(O)=O
InChi:	InChI=1S/C7H12O4/c1-4(2)5(3-8)6(9)7(10)11/h3-6,9H,1-2H3,(H,10,11)/t5-,6+/m0/s1
Definition date:	2021-03-31
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	(2~{R},3~{S})-3-methanoyl-4-methyl-2-oxidanyl-pentanoic acid

V0E

V0E
Name:	2-[4-[(2S)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile
Formula:	C19 H16 Cl N3 O3
SMILES:	O[CH](COc1ccc(CC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O
InChi:	InChI=1S/C19H16ClN3O3/c20-14-3-6-18-17(9-14)19(25)23(12-22-18)10-15(24)11-26-16-4-1-13(2-5-16)7-8-21/h1-6,9,12,15,24H,7,10-11H2/t15-/m0/s1
Synonyms:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile
Definition date:	2021-03-31
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile

V0H

V0H
Name:	2-[4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile
Formula:	C19 H16 Cl N3 O4
SMILES:	O[CH](COc1ccc(OCC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O
InChi:	InChI=1S/C19H16ClN3O4/c20-13-1-6-18-17(9-13)19(25)23(12-22-18)10-14(24)11-27-16-4-2-15(3-5-16)26-8-7-21/h1-6,9,12,14,24H,8,10-11H2/t14-/m0/s1
Synonyms:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile
Definition date:	2021-03-31
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile

V1J

V1J
Name:	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol
Formula:	C33 H68 O17
SMILES:	C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCO
InChi:	InChI=1S/C33H68O17/c34-2-1-4-36-6-8-38-10-12-40-14-16-42-18-20-44-22-24-46-26-28-48-30-32-50-33-31-49-29-27-47-25-23-45-21-19-43-17-15-41-13-11-39-9-7-37-5-3-35/h34-35H,1-33H2
Definition date:	2020-06-12
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol

1XI

1XI
Name:	~{N}-[(3~{Z},6~{S},7~{R},8~{R},8~{a}~{S})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide
Formula:	C16 H21 N3 O3 S
SMILES:	CC(=O)N[CH]1CN2[CH](CSC2=NCc3ccccc3)[CH](O)[CH]1O
InChi:	InChI=1S/C16H21N3O3S/c1-10(20)18-12-8-19-13(15(22)14(12)21)9-23-16(19)17-7-11-5-3-2-4-6-11/h2-6,12-15,21-22H,7-9H2,1H3,(H,18,20)/b17-16-/t12-,13+,14+,15+/m0/s1
Definition date:	2021-06-15
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	~{N}-[(3~{Z},6~{S},7~{R},8~{R},8~{a}~{S})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide

41Y

41Y
Name:	2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol
Formula:	C32 H41 F N2 O2
SMILES:	CC(C)c1ccc(cc1)C(C)N1CCc2c(ccc(OC)c2c2cc(F)c(O)c(NCC(C)C)c2)C1C
InChi:	InChI=1S/C32H41FN2O2/c1-19(2)18-34-29-17-25(16-28(33)32(29)36)31-27-14-15-35(22(6)26(27)12-13-30(31)37-7)21(5)24-10-8-23(9-11-24)20(3)4/h8-13,16-17,19-22,34,36H,14-15,18H2,1-7H3/t21-,22+/m0/s1
Definition date:	2021-07-07
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol

59S

59S
Name:	(2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide
Formula:	C29 H42 N4 O6
SMILES:	COc1ccc(C=CC(=O)N[CH](C(C)C)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O)cc1
InChi:	InChI=1S/C29H42N4O6/c1-18(2)15-24(28(37)31-22(17-34)16-21-7-6-14-30-27(21)36)32-29(38)26(19(3)4)33-25(35)13-10-20-8-11-23(39-5)12-9-20/h8-13,17-19,21-22,24,26H,6-7,14-16H2,1-5H3,(H,30,36)(H,31,37)(H,32,38)(H,33,35)/b13-10+/t21-,22-,24-,26-/m0/s1
Definition date:	2022-02-02
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	(2~{S})-2-[[(2~{S})-2-[[(~{E})-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide

7OC

7OC
Name:	[3-[(~{E})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{E})-octadec-10-enoate
Formula:	C39 H72 O5
SMILES:	CCCCCCCC=CCCCCCCCCC(=O)OC[CH](O)COC(=O)CCCCCCCCC=CCCCCCCC
InChi:	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,37,40H,3-14,19-36H2,1-2H3/b17-15+,18-16+
Definition date:	2022-02-22
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	[3-[(~{E})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{E})-octadec-10-enoate

9XR

9XR
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C22 H29 N7 O14 P2
SMILES:	NC(=O)c1cc(ccc1)NC1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChi:	InChI=1S/C22H29N7O14P2/c23-18-13-20(26-7-25-18)29(8-27-13)22-17(33)15(31)12(42-22)6-40-45(37,38)43-44(35,36)39-5-11-14(30)16(32)21(41-11)28-10-3-1-2-9(4-10)19(24)34/h1-4,7-8,11-12,14-17,21-22,28,30-33H,5-6H2,(H2,24,34)(H,35,36)(H,37,38)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,21+,22-/m1/s1
Definition date:	2021-11-01
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

5ZO

5ZO
Name:	(~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid
Formula:	C18 H15 N O3 S
SMILES:	COc1ccc(cc1)C=C(CC(O)=O)c2sc3ccccc3n2
InChi:	InChI=1S/C18H15NO3S/c1-22-14-8-6-12(7-9-14)10-13(11-17(20)21)18-19-15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H,20,21)/b13-10+
Definition date:	2022-02-07
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	(~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid

EKF

EKF
Name:	N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Formula:	C23 H24 N6 O
SMILES:	CN(C)Cc1ccc(cc1)c2cnc(NCc3cccc4OCCc34)n5cnnc25
InChi:	InChI=1S/C23H24N6O/c1-28(2)14-16-6-8-17(9-7-16)20-13-25-23(29-15-26-27-22(20)29)24-12-18-4-3-5-21-19(18)10-11-30-21/h3-9,13,15H,10-12,14H2,1-2H3,(H,24,25)
Definition date:	2020-01-08
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	~{N}-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

EKR

EKR
Name:	N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Formula:	C23 H24 N6 O
SMILES:	CN(C)Cc1ccc(cc1)c2cnc(NCc3cccc4CCOc34)n5cnnc25
InChi:	InChI=1S/C23H24N6O/c1-28(2)14-16-6-8-17(9-7-16)20-13-25-23(29-15-26-27-22(20)29)24-12-19-5-3-4-18-10-11-30-21(18)19/h3-9,13,15H,10-12,14H2,1-2H3,(H,24,25)
Definition date:	2020-01-08
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	~{N}-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

J59

J59
Name:	Brimonidine
Formula:	C11 H10 Br N5
SMILES:	Brc1c(NC2=NCCN2)ccc3nccnc13
InChi:	InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Definition date:	2021-04-09
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	5-bromanyl-~{N}-(4,5-dihydro-1~{H}-imidazol-2-yl)quinoxalin-6-amine

J5C

J5C
Name:	Oxymetazoline
Formula:	C16 H24 N2 O
SMILES:	Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C
InChi:	InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
Definition date:	2021-04-09
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	6-~{tert}-butyl-3-(4,5-dihydro-1~{H}-imidazol-2-ylmethyl)-2,4-dimethyl-phenol

06A

06A
Name:	1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C19 H25 F N6 O2
SMILES:	C[CH](NC1=Nc2n(ncc2C(=O)N1)C3CCCC3)C(=O)N4CC5(CC(F)C5)C4
InChi:	InChI=1S/C19H25FN6O2/c1-11(17(28)25-9-19(10-25)6-12(20)7-19)22-18-23-15-14(16(27)24-18)8-21-26(15)13-4-2-3-5-13/h8,11-13H,2-7,9-10H2,1H3,(H2,22,23,24,27)/t11-/m1/s1
Definition date:	2021-06-07
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	1-cyclopentyl-6-[[(2~{R})-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one

P1P

P1P
Name:	3-{[OXIDO(OXO)PHOSPHINO]OXY}PROPAN-1-OLATE
Formula:	C3 H6 O4 P
SMILES:	[O-][PH2+](=O)OCCC[O-]
InChi:	InChI=1S/C3H6O4P/c4-2-1-3-7-8(5)6/h1-3H2/q-1
Synonyms:	PROPYL-1-PHOSPHATE
Definition date:	2005-09-15
Last modified:	2022-04-07
Identifier:	(3-oxidopropoxy)(oxo)phosphoniumolate

4SC

4SC
Name:	2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate)
Formula:	C10 H16 N3 O6 P S
SMILES:	O=P(O)(O)OCC1SC(CC1O)N1C=C(C)C(N)=NC1=O
InChi:	InChI=1S/C10H16N3O6PS/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(21-8)4-19-20(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Definition date:	1999-07-08
Last modified:	2022-04-07
Identifier:	2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate)

05J

05J
Name:	1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
Formula:	C29 H34 N8 O2
SMILES:	CN1CCN(CC1)c1ccc(cc1)Nc1ncc2C(=O)N(CC=C)N(c2n1)c1ccc2CCC(O)(CC)c2n1
InChi:	InChI=1S/C29H34N8O2/c1-4-14-36-27(38)23-19-30-28(31-21-7-9-22(10-8-21)35-17-15-34(3)16-18-35)33-26(23)37(36)24-11-6-20-12-13-29(39,5-2)25(20)32-24/h4,6-11,19,39H,1,5,12-18H2,2-3H3,(H,30,31,33)/t29-/m1/s1
Definition date:	2021-06-02
Last modified:	2022-04-07
Release date:	2021-09-01
Identifier:	1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one

XZD

XZD
Name:	Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
Formula:	C46 H53 Cl N7 O11 P S
SMILES:	Clc1ccc(cc1)C=1CC(C)(C)CCC=1CN1CCN(CC1)c1ccc(c(OC=2C=C3C=CN=C3N(COP(=O)(O)O)C=2)c1)C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c(c1)[N+]([O-])=O
InChi:	InChI=1S/C46H53ClN7O11PS/c1-46(2)15-11-34(40(26-46)32-3-5-35(47)6-4-32)28-51-17-19-52(20-18-51)36-7-9-39(43(24-36)65-37-23-33-12-16-48-44(33)53(29-37)30-64-66(58,59)60)45(55)50-67(61,62)38-8-10-41(42(25-38)54(56)57)49-27-31-13-21-63-22-14-31/h3-10,12,16,23-25,29,31,49H,11,13-15,17-22,26-28,30H2,1-2H3,(H,50,55)(H2,58,59,60)
Definition date:	2021-01-22
Last modified:	2022-04-05
Release date:	2021-04-14
Identifier:	[(3aP)-5-(5-{4-[(4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro[1,1'-biphenyl]-2-yl)methyl]piperazin-1-yl}-2-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)carbamoyl]phenoxy)-7H-pyrrolo[2,3-b]pyridin-7-yl]methyl dihydrogen phosphate

E9D

E9D
Name:	Heteroaryldihydropyrimidine tetramethylrodamine
Formula:	C51 H48 Cl F N8 O7
SMILES:	O=C(OC)c1c(nc(nc1CN1CCN(CC1)C(=O)CCCNC(=O)c1cc(C=2c3ccc(cc3OC3=CC(C=CC=23)=[N+](/C)C)N(C)C)c(cc1)C([O-])=O)c1ccccn1)c1ccc(F)cc1Cl
InChi:	InChI=1S/C51H48ClFN8O7/c1-58(2)32-13-17-36-42(27-32)68-43-28-33(59(3)4)14-18-37(43)45(36)38-25-30(11-15-34(38)50(64)65)49(63)55-20-8-10-44(62)61-23-21-60(22-24-61)29-41-46(51(66)67-5)47(35-16-12-31(53)26-39(35)52)57-48(56-41)40-9-6-7-19-54-40/h6-7,9,11-19,25-28H,8,10,20-24,29H2,1-5H3,(H-,55,63,64,65)
Synonyms:	HAP-TAMRA
Definition date:	2017-12-13
Last modified:	2022-04-05
Release date:	2018-02-07
Identifier:	(2P)-4-{[4-(4-{[(2M,6M)-6-(2-chloro-4-fluorophenyl)-5-(methoxycarbonyl)-2-(pyridin-2-yl)pyrimidin-4-yl]methyl}piperazin-1-yl)-4-oxobutyl]carbamoyl}-2-{[4aP,9(9a)P]-6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl}benzoate

GOV

GOV
Name:	(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol
Formula:	C11 H15 N O3
SMILES:	CC(O)CNCc1ccc2OCOc2c1
InChi:	InChI=1S/C11H15NO3/c1-8(13)5-12-6-9-2-3-10-11(4-9)15-7-14-10/h2-4,8,12-13H,5-7H2,1H3/t8-/m0/s1
Definition date:	2018-05-31
Last modified:	2022-04-04
Release date:	2018-12-19
Identifier:	(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol

YTG

YTG
Name:	N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
Formula:	C26 H24 Cl N3 O3
SMILES:	Clc1ccc(cc1)N(C)C(=O)C(Cc1ccccc1)NC(=O)Cc1c[NH]c2ccc(O)cc21
InChi:	InChI=1S/C26H24ClN3O3/c1-30(20-9-7-19(27)8-10-20)26(33)24(13-17-5-3-2-4-6-17)29-25(32)14-18-16-28-23-12-11-21(31)15-22(18)23/h2-12,15-16,24,28,31H,13-14H2,1H3,(H,29,32)/t24-/m0/s1
Definition date:	2021-03-31
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide

YTY

YTY
Name:	diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C36 H55 N2 O12 P S
SMILES:	CC(O)c1ccc(cc1)S(=O)(=O)N(CC(CC)CC)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12
InChi:	InChI=1S/C36H55N2O12PS/c1-6-26(7-2)21-38(52(43,44)30-16-12-28(13-17-30)25(5)39)22-33(40)32(37-36(41)50-34-23-46-35-31(34)18-19-45-35)20-27-10-14-29(15-11-27)47-24-51(42,48-8-3)49-9-4/h10-17,25-26,31-35,39-40H,6-9,18-24H2,1-5H3,(H,37,41)/t25-,31-,32-,33+,34-,35+/m0/s1
Definition date:	2021-03-31
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

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243531

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