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HCU

HCU
Name:	[(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate
Formula:	C10 H16 N5 O6 P
SMILES:	NC1=NC(=O)c2ncn(CC[CH](CO)CO[P](O)(O)=O)c2N1
InChi:	InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)2-1-6(3-16)4-21-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m1/s1
Synonyms:	Penciclovir phosphate
Definition date:	2020-12-17
Last modified:	2021-12-10
Release date:	2021-12-15
Identifier:	[(2~{R})-4-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate

VBV

VBV
Name:	[1,1'-biphenyl]-4,4'-disulfonic acid
Formula:	C12 H10 O6 S2
SMILES:	O=S(c2ccc(c1ccc(cc1)S(O)(=O)=O)cc2)(=O)O
InChi:	InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18)
Definition date:	2020-07-24
Last modified:	2021-12-10
Release date:	2021-12-15
Identifier:	[1,1'-biphenyl]-4,4'-disulfonic acid

DK8

DK8
Name:	2-[(2~{E},6~{E},10~{Z},14~{E},18~{E},22~{E},26~{E})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
Formula:	C50 H70 O2
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC(=O)c2ccccc2C1=O
InChi:	InChI=1S/C50H70O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29-,44-31+,45-35+
Synonyms:	demethlymenaquinone-8
Definition date:	2021-07-23
Last modified:	2021-12-10
Release date:	2021-12-15
Identifier:	2-[(2~{E},6~{E},10~{Z},14~{E},18~{E},22~{E},26~{E})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione

XAY

XAY
Name:	2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid
Formula:	C25 H21 N3 O4
SMILES:	OC(=O)c1ccccc1NC(=O)C(C#N)Cc2cc(ccc2)NC(c3ccc(cc3)C)=O
InChi:	InChI=1S/C25H21N3O4/c1-16-9-11-18(12-10-16)23(29)27-20-6-4-5-17(14-20)13-19(15-26)24(30)28-22-8-3-2-7-21(22)25(31)32/h2-12,14,19H,13H2,1H3,(H,27,29)(H,28,30)(H,31,32)/t19-/m0/s1
Definition date:	2020-12-08
Last modified:	2021-12-10
Release date:	2021-12-15
Identifier:	2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid

Y6S

Y6S
Name:	6-iodanyl-1~{H}-indole-2-carboxylic acid
Formula:	C9 H6 I N O2
SMILES:	OC(=O)c1[nH]c2cc(I)ccc2c1
InChi:	InChI=1S/C9H6INO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
Definition date:	2021-02-08
Last modified:	2021-12-10
Release date:	2021-12-15
Identifier:	6-iodanyl-1~{H}-indole-2-carboxylic acid

YT1

YT1
Name:	PB28
Formula:	C24 H38 N2 O
SMILES:	COc1cccc2c1CCCC2CCCN1CCN(CC1)C1CCCCC1
InChi:	InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1
Synonyms:	1-cyclohexyl-4-{3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl}piperazine
Definition date:	2021-03-31
Last modified:	2021-12-10
Release date:	2021-12-15
Identifier:	1-cyclohexyl-4-{3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl}piperazine

YT7

YT7
Name:	Roluperidone
Formula:	C22 H23 F N2 O2
SMILES:	O=C(CN1CCC(CC1)CN1Cc2ccccc2C1=O)c1ccc(F)cc1
InChi:	InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2
Synonyms:	2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one
Definition date:	2021-03-31
Last modified:	2021-12-10
Release date:	2021-12-15
Identifier:	2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one

YTC

YTC
Name:	(3~{S},4~{S})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Formula:	C22 H24 O7
SMILES:	COc1cc(C[CH]2[CH](COC2=O)Cc3ccc4OCOc4c3)cc(OC)c1OC
InChi:	InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m1/s1
Definition date:	2021-03-18
Last modified:	2021-12-10
Release date:	2021-12-15
Identifier:	(3~{S},4~{S})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one

YTD

YTD
Name:	6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one
Formula:	C21 H26 N2 O2
SMILES:	CC(C)(NCc1ccc2c(CCC(=O)N2C)c1)C(O)c1ccccc1
InChi:	InChI=1S/C21H26N2O2/c1-21(2,20(25)16-7-5-4-6-8-16)22-14-15-9-11-18-17(13-15)10-12-19(24)23(18)3/h4-9,11,13,20,22,25H,10,12,14H2,1-3H3/t20-/m0/s1
Definition date:	2021-03-31
Last modified:	2021-12-10
Release date:	2021-12-15
Identifier:	6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one

YTN

YTN
Name:	(3~{R},4~{R})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Formula:	C22 H24 O7
SMILES:	COc1cc(C[CH]2[CH](COC2=O)Cc3ccc4OCOc4c3)cc(OC)c1OC
InChi:	InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1
Definition date:	2021-02-17
Last modified:	2021-12-10
Release date:	2021-12-15
Identifier:	(3~{R},4~{R})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one

3IX

3IX
Name:	S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate
Formula:	C41 H66 N7 O17 P3 S
SMILES:	CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1
Synonyms:	Arachidonyl-CoA
Definition date:	2021-07-19
Last modified:	2021-12-07
Release date:	2021-12-01
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenethioate

ZD4

ZD4
Name:	2-chloroadenosine 5'-(trihydrogen diphosphate)
Formula:	C10 H14 Cl N5 O10 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)nc(Cl)nc32)C(O)C1O
InChi:	InChI=1S/C10H14ClN5O10P2/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
Definition date:	2021-04-14
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	2-chloroadenosine 5'-(trihydrogen diphosphate)

2NU

2NU
Name:	2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide
Formula:	C9 H12 Br N3 O
SMILES:	CN(C1CC1)C(=O)Cn2cc(Br)cn2
InChi:	InChI=1S/C9H12BrN3O/c1-12(8-2-3-8)9(14)6-13-5-7(10)4-11-13/h4-5,8H,2-3,6H2,1H3
Definition date:	2021-06-23
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide

4OI

4OI
Name:	(1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide
Formula:	C12 H12 N4 O
SMILES:	O=C(Nc1c[nH]nc1)[CH]2C[CH]2c3cccnc3
InChi:	InChI=1S/C12H12N4O/c17-12(16-9-6-14-15-7-9)11-4-10(11)8-2-1-3-13-5-8/h1-3,5-7,10-11H,4H2,(H,14,15)(H,16,17)/t10-,11+/m0/s1
Definition date:	2021-07-06
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide

5IS

5IS
Name:	(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione
Formula:	C28 H35 Cl N2 O7
SMILES:	CC1C2CC(=NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(O)C2(C)OC12
InChi:	InChI=1S/C28H35ClN2O7/c1-15-8-7-9-20(35-5)18-13-21(37-27(34)30-18)16(2)26-28(3,38-26)23(32)14-24(33)31(4)19-11-17(10-15)12-22(36-6)25(19)29/h7-9,11-12,16,20-21,23,26,32H,10,13-14H2,1-6H3/b9-7+,15-8+/t16-,20-,21+,23+,26+,28+/m1/s1
Definition date:	2021-07-20
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione

5IX

5IX
Name:	(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate
Formula:	C36 H43 Cl N2 O9
SMILES:	CC1C2CC(O)(NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(OC(=O)Cc2ccccc2)C2(C)OC12
InChi:	InChI=1S/C36H43ClN2O9/c1-21-11-10-14-28(45-6)36(43)20-27(46-34(42)38-36)22(2)33-35(3,48-33)29(47-31(41)18-23-12-8-7-9-13-23)19-30(40)39(4)25-16-24(15-21)17-26(44-5)32(25)37/h7-14,16-17,22,27-29,33,43H,15,18-20H2,1-6H3,(H,38,42)/b14-10+,21-11+/t22-,27+,28-,29+,33+,35+,36+/m1/s1
Definition date:	2021-07-20
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate

5JH

5JH
Name:	(1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate
Formula:	C35 H49 Cl N2 O9
SMILES:	CCCCCCC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3(O)CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl
InChi:	InChI=1S/C35H49ClN2O9/c1-8-9-10-11-15-30(40)46-28-19-29(39)38(5)24-17-23(18-25(43-6)31(24)36)16-21(2)13-12-14-27(44-7)35(42)20-26(45-33(41)37-35)22(3)32-34(28,4)47-32/h12-14,17-18,22,26-28,32,42H,8-11,15-16,19-20H2,1-7H3,(H,37,41)/b14-12+,21-13+/t22-,26-,27-,28+,32+,34+,35+/m1/s1
Definition date:	2021-07-20
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate

5JS

5JS
Name:	(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate
Formula:	C36 H41 Cl N2 O8
SMILES:	CC1C2CC(=NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(OC(=O)Cc2ccccc2)C2(C)OC12
InChi:	InChI=1S/C36H41ClN2O8/c1-21-11-10-14-27(43-5)25-19-28(45-35(42)38-25)22(2)34-36(3,47-34)30(46-32(41)18-23-12-8-7-9-13-23)20-31(40)39(4)26-16-24(15-21)17-29(44-6)33(26)37/h7-14,16-17,22,27-28,30,34H,15,18-20H2,1-6H3/b14-10+,21-11+/t22-,27-,28+,30+,34+,36+/m1/s1
Definition date:	2021-07-20
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate

5KI

5KI
Name:	(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate
Formula:	C30 H37 Cl N2 O8
SMILES:	CC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3=CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl
InChi:	InChI=1S/C30H37ClN2O8/c1-16-9-8-10-22(37-6)20-14-23(40-29(36)32-20)17(2)28-30(4,41-28)25(39-18(3)34)15-26(35)33(5)21-12-19(11-16)13-24(38-7)27(21)31/h8-10,12-14,17,22-23,25,28H,11,15H2,1-7H3,(H,32,36)/b10-8+,16-9+/t17-,22-,23+,25+,28+,30+/m1/s1
Definition date:	2021-07-20
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate

5L5

5L5
Name:	(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate
Formula:	C35 H43 Cl N2 O8
SMILES:	C#CCCCCC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C=3CC(OC(=O)N=3)C(C)C3OC13C)cc(OC)c2Cl
InChi:	InChI=1S/C35H43ClN2O8/c1-8-9-10-11-15-31(40)45-29-20-30(39)38(5)25-17-23(18-28(43-7)32(25)36)16-21(2)13-12-14-26(42-6)24-19-27(44-34(41)37-24)22(3)33-35(29,4)46-33/h1,12-14,17-18,22,26-27,29,33H,9-11,15-16,19-20H2,2-7H3/b14-12+,21-13+/t22-,26-,27+,29+,33+,35+/m1/s1
Definition date:	2021-07-20
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate

1H9

1H9
Name:	8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one
Formula:	C18 H12 Br N O2 S
SMILES:	Brc1cccc(COc2ccc3C(=O)Nc4sccc4c3c2)c1
InChi:	InChI=1S/C18H12BrNO2S/c19-12-3-1-2-11(8-12)10-22-13-4-5-14-16(9-13)15-6-7-23-18(15)20-17(14)21/h1-9H,10H2,(H,20,21)
Definition date:	2021-06-10
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one

1I1

1I1
Name:	((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid
Formula:	C10 H16 N7 O5 P
SMILES:	Nc1ncnc2n(CCN[CH](CO)C(=O)N[P](O)(O)=O)cnc12
InChi:	InChI=1S/C10H16N7O5P/c11-8-7-9(14-4-13-8)17(5-15-7)2-1-12-6(3-18)10(19)16-23(20,21)22/h4-6,12,18H,1-3H2,(H2,11,13,14)(H3,16,19,20,21,22)/t6-/m0/s1
Definition date:	2021-06-10
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	[[(2~{S})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-oxidanyl-propanoyl]amino]phosphonic acid

1I4

1I4
Name:	(R)-N-(1-(6-amino-9H-purin-9-yl)propan-2-yl)-N-(2-phosphonoethyl)glycine
Formula:	C12 H19 N6 O5 P
SMILES:	C[CH](Cn1cnc2c(N)ncnc12)N(CC[P](O)(O)=O)CC(O)=O
InChi:	InChI=1S/C12H19N6O5P/c1-8(17(5-9(19)20)2-3-24(21,22)23)4-18-7-16-10-11(13)14-6-15-12(10)18/h6-8H,2-5H2,1H3,(H,19,20)(H2,13,14,15)(H2,21,22,23)/t8-/m1/s1
Definition date:	2021-06-10
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	2-[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]-(2-phosphonoethyl)amino]ethanoic acid

1IA

1IA
Name:	(2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid
Formula:	C10 H15 N6 O5 P
SMILES:	Nc1ncnc2n(CCN[CH](C[P](O)(O)=O)C(O)=O)cnc12
InChi:	InChI=1S/C10H15N6O5P/c11-8-7-9(14-4-13-8)16(5-15-7)2-1-12-6(10(17)18)3-22(19,20)21/h4-6,12H,1-3H2,(H,17,18)(H2,11,13,14)(H2,19,20,21)/t6-/m0/s1
Definition date:	2021-06-10
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid

1IH

1IH
Name:	(S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid
Formula:	C10 H15 N6 O5 P
SMILES:	Nc1ncnc2n(CCN[CH](C[P](O)(O)=O)C(O)=O)cnc12
InChi:	InChI=1S/C10H15N6O5P/c11-8-7-9(14-4-13-8)16(5-15-7)2-1-12-6(10(17)18)3-22(19,20)21/h4-6,12H,1-3H2,(H,17,18)(H2,11,13,14)(H2,19,20,21)/t6-/m1/s1
Definition date:	2021-06-10
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(2~{S})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid

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