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PDB Info pages Status search Chemie search: 44311 results BIRD

W8S

W8S
Name:	(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone
Formula:	C26 H24 N4 O4
SMILES:	Cn2c(cc(c1cc(ccc1)OC)n2)Nc3cc(O)cc(c3C(=O)N4Cc5c(C4)cccc5)O
InChi:	InChI=1S/C26H24N4O4/c1-29-24(13-21(28-29)16-8-5-9-20(10-16)34-2)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-6-3-4-7-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3
Definition date:	2020-09-30
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone

W8V

W8V
Name:	(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone
Formula:	C26 H24 N4 O3
SMILES:	c3(O)cc(c(C(=O)N1Cc2c(C1)cccc2)c(c3)Nc5cc(c4c(cccc4)C)nn5C)O
InChi:	InChI=1S/C26H24N4O3/c1-16-7-3-6-10-20(16)21-13-24(29(2)28-21)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-8-4-5-9-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3
Definition date:	2020-09-30
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone

W8Y

W8Y
Name:	(5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone
Formula:	C24 H21 N5 O3
SMILES:	c1(cc(cc(c1C(=O)N2Cc3c(C2)cccn3)Nc5cc(c4ccccc4)nn5C)O)O
InChi:	InChI=1S/C24H21N5O3/c1-28-22(12-18(27-28)15-6-3-2-4-7-15)26-19-10-17(30)11-21(31)23(19)24(32)29-13-16-8-5-9-25-20(16)14-29/h2-12,26,30-31H,13-14H2,1H3
Definition date:	2020-09-30
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	(5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone

NXQ

NXQ
Name:	2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid
Formula:	C17 H17 F N O5 S
SMILES:	C[S-](O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1
InChi:	InChI=1S/C17H17FNO5S/c1-25(23)13-4-2-3-11(7-13)9-19-17(22)14-6-5-12(18)8-15(14)24-10-16(20)21/h2-8,23H,9-10H2,1H3,(H,19,22)(H,20,21)/q-1
Definition date:	2020-01-07
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)sulfanuidyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid

NY5

NY5
Name:	5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Formula:	C11 H12 O2
SMILES:	OC(=O)c1ccc2CCCCc2c1
InChi:	InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)
Definition date:	2020-01-08
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

NYE

NYE
Name:	3-azanylnaphthalene-2-carboxylic acid
Formula:	C11 H9 N O2
SMILES:	Nc1cc2ccccc2cc1C(O)=O
InChi:	InChI=1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14)
Definition date:	2020-01-09
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	3-azanylnaphthalene-2-carboxylic acid

NZW

NZW
Name:	~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
Formula:	C26 H28 N4 O4
SMILES:	COc1ccc(cc1)[CH](C)NC(=O)[CH]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3
InChi:	InChI=1S/C26H28N4O4/c1-17(18-9-12-20(34-2)13-10-18)28-26(33)23-8-5-15-30(23)24(31)16-27-25(32)22-14-11-19-6-3-4-7-21(19)29-22/h3-4,6-7,9-14,17,23H,5,8,15-16H2,1-2H3,(H,27,32)(H,28,33)/t17-,23-/m0/s1
Definition date:	2020-01-13
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide

O08

O08
Name:	~{N}-[2-[(2~{S},4~{R})-2-[[(1~{S})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide
Formula:	C26 H26 Cl F N4 O5
SMILES:	COc1ccc([CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)CNC(=O)c3ccc4cc(F)ccc4n3)c(Cl)c1
InChi:	InChI=1S/C26H26ClFN4O5/c1-14(19-6-5-18(37-2)11-20(19)27)30-26(36)23-10-17(33)13-32(23)24(34)12-29-25(35)22-7-3-15-9-16(28)4-8-21(15)31-22/h3-9,11,14,17,23,33H,10,12-13H2,1-2H3,(H,29,35)(H,30,36)/t14-,17+,23-/m0/s1
Definition date:	2020-01-13
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	~{N}-[2-[(2~{S},4~{R})-2-[[(1~{S})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide

O0E

O0E
Name:	(2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide
Formula:	C25 H29 N7 O4
SMILES:	C[CH](NC(=O)[CH]1CCCN1C(=O)[CH](Cc2c[nH]cn2)NC(=O)c3cc4ccccc4cc3N)C(N)=O
InChi:	InChI=1S/C25H29N7O4/c1-14(22(27)33)30-24(35)21-7-4-8-32(21)25(36)20(11-17-12-28-13-29-17)31-23(34)18-9-15-5-2-3-6-16(15)10-19(18)26/h2-3,5-6,9-10,12-14,20-21H,4,7-8,11,26H2,1H3,(H2,27,33)(H,28,29)(H,30,35)(H,31,34)/t14-,20-,21-/m0/s1
Definition date:	2020-01-13
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	(2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide

O1E

O1E
Name:	5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
Formula:	C13 H14 N4 S
SMILES:	CCc1sc(NCc2ccc3[nH]ccc3c2)nn1
InChi:	InChI=1S/C13H14N4S/c1-2-12-16-17-13(18-12)15-8-9-3-4-11-10(7-9)5-6-14-11/h3-7,14H,2,8H2,1H3,(H,15,17)
Synonyms:	5-ethyl-~{N}-(1~{H}-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
Definition date:	2020-01-20
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	5-ethyl-~{N}-(1~{H}-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine

GOC

GOC
Name:	N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
Formula:	C27 H23 N3 O2 S
SMILES:	Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5)c(C)c1
InChi:	InChI=1S/C27H23N3O2S/c1-17-8-13-24(18(2)14-17)30-26(22-15-33-16-23(22)29-30)28-27(32)21-11-9-20(10-12-21)25(31)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,28,32)
Definition date:	2020-09-15
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide

EHX

EHX
Name:	(9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole
Formula:	C12 H11 N O2
SMILES:	OO[C]12CC=CC=C1c3ccccc3N2
InChi:	InChI=1S/C12H11NO2/c14-15-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13-12/h1-7,13-14H,8H2/t12-/m1/s1
Definition date:	2019-12-25
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	(9~{a}~{R})-9~{a}-(dioxidanyl)-1,9-dihydrocarbazole

EN9

EN9
Name:	(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide
Formula:	C20 H17 Cl F4 N4 O4 S
SMILES:	NC(=O)[CH](CCC(F)(F)F)N(Cc1ccc(cc1F)c2nocn2)[S](=O)(=O)c3ccc(Cl)cc3
InChi:	InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1
Definition date:	2020-01-16
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	(2~{R})-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide

ESF

ESF
Name:	(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
Formula:	C19 H27 N3 O4
SMILES:	CC(C)[CH](O)C(=O)N[CH](C)C(=O)N[CH]1C(=O)N(C)CCc2ccccc12
InChi:	InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1
Definition date:	2020-01-21
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	(2~{S})-3-methyl-~{N}-[(2~{S})-1-[(3-methyl-4-oxidanylidene-2,5-dihydro-1~{H}-3-benzazepin-5-yl)amino]-1-oxidanylidene-propan-2-yl]-2-oxidanyl-butanamide

E8X

E8X
Name:	(2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
Formula:	C12 H23 N O4
SMILES:	CCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O
InChi:	InChI=1S/C12H23NO4/c1-2-3-4-5-6-8-10(12(16)17)11(15)9(14)7-13-8/h8-11,13-15H,2-7H2,1H3,(H,16,17)/t8-,9+,10-,11-/m0/s1
Definition date:	2019-11-21
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	(2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid

E9O

E9O
Name:	(2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
Formula:	C15 H29 N O4
SMILES:	CCCCCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O
InChi:	InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-11-13(15(19)20)14(18)12(17)10-16-11/h11-14,16-18H,2-10H2,1H3,(H,19,20)/t11-,12+,13-,14-/m0/s1
Definition date:	2019-11-25
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	(2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid

G06

G06
Name:	methyl (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate
Formula:	C14 H21 N2 O7 P S
SMILES:	COC(=O)[CH](CCSC)N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O
InChi:	InChI=1S/C14H21N2O7PS/c1-9-13(17)11(10(6-15-9)8-23-24(19,20)21)7-16-12(4-5-25-3)14(18)22-2/h6-7,12,17H,4-5,8H2,1-3H3,(H2,19,20,21)/b16-7+/t12-/m0/s1
Definition date:	2020-07-14
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	methyl (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate

G0C

G0C
Name:	[6-methyl-4-[(E)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C12 H19 N2 O5 P S
SMILES:	CSCCCN=Cc1c(O)c(C)ncc1CO[P](O)(O)=O
InChi:	InChI=1S/C12H19N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6-7,15H,3-5,8H2,1-2H3,(H2,16,17,18)/b13-7+
Definition date:	2020-07-14
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	[6-methyl-4-[(~{E})-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

GWO

GWO
Name:	(2R,4R,5S)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid
Formula:	C19 H23 N O3
SMILES:	N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)C(O)=O
InChi:	InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18-/m1/s1
Definition date:	2020-09-29
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	(2~{R},4~{R},5~{S})-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid

GY0

GY0
Name:	methyl 3-[(E,3R,9R)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate
Formula:	C14 H24 O5 S
SMILES:	COC(=O)CCSC(=O)C[CH](O)C=CCCC[CH](C)O
InChi:	InChI=1S/C14H24O5S/c1-11(15)6-4-3-5-7-12(16)10-14(18)20-9-8-13(17)19-2/h5,7,11-12,15-16H,3-4,6,8-10H2,1-2H3/b7-5+/t11-,12+/m1/s1
Definition date:	2020-10-08
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	methyl 3-[(~{E},3~{R},9~{R})-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate

H0C

H0C
Name:	[(2~{R},3~{R},4~{R},5~{S},6~{S})-2-[[(1~{R},3~{S},5~{S},8~{R},9~{S},10~{R},11~{R},13~{R},14~{S},17~{R})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{H}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate
Formula:	C44 H52 O13
SMILES:	C[CH]1O[CH](O[CH]2C[CH](O)[C]3(CO)[CH]4[CH](O)C[C]5(C)[CH](CC[C]5(O)[CH]4CC[C]3(O)C2)C6=CC(=O)OC6)[CH](O)[CH](OC(=O)c7c8ccccc8cc9ccccc79)[CH]1O
InChi:	InChI=1S/C44H52O13/c1-22-36(49)38(57-39(51)34-27-9-5-3-7-23(27)15-24-8-4-6-10-28(24)34)37(50)40(55-22)56-26-17-32(47)43(21-45)35-30(11-13-42(43,52)18-26)44(53)14-12-29(25-16-33(48)54-20-25)41(44,2)19-31(35)46/h3-10,15-16,22,26,29-32,35-38,40,45-47,49-50,52-53H,11-14,17-21H2,1-2H3/t22-,26-,29+,30+,31+,32+,35+,36-,37+,38+,40-,41+,42-,43+,44-/m0/s1
Definition date:	2020-10-19
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	[(2~{R},3~{R},4~{R},5~{S},6~{S})-2-[[(1~{R},3~{S},5~{S},8~{R},9~{S},10~{R},11~{R},13~{R},14~{S},17~{R})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{H}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate

H46

H46
Name:	~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
Formula:	C34 H36 F N5 O2
SMILES:	CCN(CC)C(=O)[CH](N1CCN(CC1)c2ccc(NC(=O)c3ccccc3c4cccnc4)cc2F)c5ccccc5
InChi:	InChI=1S/C34H36FN5O2/c1-3-38(4-2)34(42)32(25-11-6-5-7-12-25)40-21-19-39(20-22-40)31-17-16-27(23-30(31)35)37-33(41)29-15-9-8-14-28(29)26-13-10-18-36-24-26/h5-18,23-24,32H,3-4,19-22H2,1-2H3,(H,37,41)/t32-/m0/s1
Definition date:	2020-11-04
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide

QCE

QCE
Name:	N3-(N-(1-amino-4-methyl-1-oxopentan-2-yl)-2-amino-2-oxo-ethyl)-2'-deoxythymidine
Formula:	C13 H20 N3 O8 P
SMILES:	CNC(=O)CN1C(=O)N(C=C(C)C1=O)[CH]2C[CH](O)[CH](COP(O)O)O2
InChi:	InChI=1S/C13H20N3O8P/c1-7-4-15(13(20)16(12(7)19)5-10(18)14-2)11-3-8(17)9(24-11)6-23-25(21)22/h4,8-9,11,17,21-22H,3,5-6H2,1-2H3,(H,14,18)/t8-,9+,11+/m0/s1
Synonyms:	[(2~{R},3~{S},5~{R})-5-[5-methyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
Definition date:	2020-06-04
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	[(2~{R},3~{S},5~{R})-5-[5-methyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite

QCK

QCK
Name:	(4-methyltriazole)-Thymidine-5'-monophosphate
Formula:	C13 H18 N5 O8 P
SMILES:	CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N(Cc3[nH]nnc3)C1=O
InChi:	InChI=1S/C13H18N5O8P/c1-7-4-17(11-2-9(19)10(26-11)6-25-27(22,23)24)13(21)18(12(7)20)5-8-3-14-16-15-8/h3-4,9-11,19H,2,5-6H2,1H3,(H,14,15,16)(H2,22,23,24)/t9-,10+,11+/m0/s1
Definition date:	2020-06-05
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)-3-(1~{H}-1,2,3-triazol-5-ylmethyl)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

QJW

QJW
Name:	(2~{S},3~{S})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid
Formula:	C11 H12 N2 O7
SMILES:	N[CH]([CH](OCc1ccccc1[N](=O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C11H12N2O7/c12-8(10(14)15)9(11(16)17)20-5-6-3-1-2-4-7(6)13(18)19/h1-4,8-9H,5,12H2,(H,14,15)(H,16,17)/t8-,9-/m0/s1
Definition date:	2020-06-18
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	(2~{S},3~{S})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid

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