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3ZN

3ZN
Name:	(3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate
Formula:	C28 H39 N3 O6
SMILES:	O=C(OC2C(CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C)CNC2)NCc3ccccc3
InChi:	InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1
Definition date:	2014-12-22
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	(3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate

3ZR

3ZR
Name:	diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate
Formula:	C28 H39 Cl N3 O8 P
SMILES:	O=C1N=CC=C1CC(NC(=O)C(NC(=O)OCc2cccc(Cl)c2)CC3CCCCC3)C(O)P(=O)(OCC)OCC
InChi:	InChI=1S/C28H39ClN3O8P/c1-3-39-41(37,40-4-2)27(35)24(17-21-13-14-30-25(21)33)31-26(34)23(16-19-9-6-5-7-10-19)32-28(36)38-18-20-11-8-12-22(29)15-20/h8,11-15,19,23-24,27,35H,3-7,9-10,16-18H2,1-2H3,(H,31,34)(H,32,36)/t23-,24-,27?/m0/s1
Definition date:	2014-12-18
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate

Q02

Q02
Name:	[(R)-amino(phenyl)methyl]phosphonic acid
Formula:	C7 H10 N O3 P
SMILES:	O=P(O)(O)C(N)c1ccccc1
InChi:	InChI=1S/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)/t7-/m1/s1
Definition date:	2014-07-29
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	[(R)-amino(phenyl)methyl]phosphonic acid

Q03

Q03
Name:	[(R)-amino(cyclohexyl)methyl]phosphonic acid
Formula:	C7 H16 N O3 P
SMILES:	O=P(O)(O)C(N)C1CCCCC1
InChi:	InChI=1S/C7H16NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5,8H2,(H2,9,10,11)/t7-/m1/s1
Definition date:	2014-08-07
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	[(R)-amino(cyclohexyl)methyl]phosphonic acid

Q04

Q04
Name:	[(1R)-1-amino-2-cyclohexylethyl]phosphonic acid
Formula:	C8 H18 N O3 P
SMILES:	O=P(O)(O)C(N)CC1CCCCC1
InChi:	InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H2,10,11,12)/t8-/m1/s1
Definition date:	2014-08-06
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	[(1R)-1-amino-2-cyclohexylethyl]phosphonic acid

Q06

Q06
Name:	[(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid
Formula:	C8 H18 N O3 P
SMILES:	O=P(O)(O)C(N)CCC1CCCC1
InChi:	InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-5-7-3-1-2-4-7/h7-8H,1-6,9H2,(H2,10,11,12)/t8-/m1/s1
Definition date:	2014-07-31
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	[(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid

Q07

Q07
Name:	[(1R,2S)-1-amino-2-methylpentyl]phosphonic acid
Formula:	C6 H16 N O3 P
SMILES:	O=P(O)(O)C(N)C(CCC)C
InChi:	InChI=1S/C6H16NO3P/c1-3-4-5(2)6(7)11(8,9)10/h5-6H,3-4,7H2,1-2H3,(H2,8,9,10)/t5-,6+/m0/s1
Definition date:	2014-07-29
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	[(1R,2S)-1-amino-2-methylpentyl]phosphonic acid

Q08

Q08
Name:	[(1R)-1-amino-2-propylpentyl]phosphonic acid
Formula:	C8 H20 N O3 P
SMILES:	O=P(O)(O)C(N)C(CCC)CCC
InChi:	InChI=1S/C8H20NO3P/c1-3-5-7(6-4-2)8(9)13(10,11)12/h7-8H,3-6,9H2,1-2H3,(H2,10,11,12)/t8-/m1/s1
Definition date:	2014-07-29
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	[(1R)-1-amino-2-propylpentyl]phosphonic acid

33G

33G
Name:	(4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Formula:	C25 H20 F N5 O
SMILES:	Fc1cccc(c1)c2cc(C#N)cc(c2)C4(C(C#N)=C(Oc3nnc(c34)C)N)C5CCC5
InChi:	InChI=1S/C25H20FN5O/c1-14-22-24(31-30-14)32-23(29)21(13-28)25(22,18-5-3-6-18)19-9-15(12-27)8-17(10-19)16-4-2-7-20(26)11-16/h2,4,7-11,18H,3,5-6,29H2,1H3,(H,30,31)/t25-/m0/s1
Definition date:	2014-06-09
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	(4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

3EM

3EM
Name:	N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide
Formula:	C43 H51 N5 O8 S
SMILES:	O=C(OCc1scnc1)NC(Cc2ccccc2)C(O)CC(NC(=O)C(NC(=O)OCC=3c4ccc(N(CC)CC)cc4OC(=O)C=3)C(C)C)Cc5ccccc5
InChi:	InChI=1S/C43H51N5O8S/c1-5-48(6-2)33-17-18-35-31(21-39(50)56-38(35)23-33)25-54-43(53)47-40(28(3)4)41(51)45-32(19-29-13-9-7-10-14-29)22-37(49)36(20-30-15-11-8-12-16-30)46-42(52)55-26-34-24-44-27-57-34/h7-18,21,23-24,27-28,32,36-37,40,49H,5-6,19-20,22,25-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)/t32-,36-,37-,40-/m0/s1
Definition date:	2014-08-01
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide

3EN

3EN
Name:	N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide
Formula:	C28 H36 N4 O4 S
SMILES:	O=C(OCc1scnc1)NC(Cc2ccccc2)C(O)CC(NC(=O)C(N)C(C)C)Cc3ccccc3
InChi:	InChI=1S/C28H36N4O4S/c1-19(2)26(29)27(34)31-22(13-20-9-5-3-6-10-20)15-25(33)24(14-21-11-7-4-8-12-21)32-28(35)36-17-23-16-30-18-37-23/h3-12,16,18-19,22,24-26,33H,13-15,17,29H2,1-2H3,(H,31,34)(H,32,35)/t22-,24-,25-,26-/m0/s1
Definition date:	2014-08-01
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide

99S

99S
Name:	methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate
Formula:	C24 H21 N5 O3 S
SMILES:	N#CC2=C(Oc1nnc(c1C2(c4cc(C#N)cc(c3sc(C(=O)OC)cc3)c4)C(C)C)C)N
InChi:	InChI=1S/C24H21N5O3S/c1-12(2)24(17(11-26)21(27)32-22-20(24)13(3)28-29-22)16-8-14(10-25)7-15(9-16)18-5-6-19(33-18)23(30)31-4/h5-9,12H,27H2,1-4H3,(H,28,29)/t24-/m0/s1
Definition date:	2014-06-09
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate

DZX

DZX
Name:	DEOXY-GALACTO-NOEUROSTEGINE
Formula:	C8 H15 N O3
SMILES:	OC[CH]1[CH](O)[CH](O)[CH]2CC[CH]1N2
InChi:	InChI=1S/C8H15NO3/c10-3-4-5-1-2-6(9-5)8(12)7(4)11/h4-12H,1-3H2/t4-,5+,6-,7-,8+/m0/s1
Definition date:	2015-03-17
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	(1R,2R,3S,4R,5S)-2-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-3,4-diol

2K9

2K9
Name:	9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one
Formula:	C19 H11 N3 O
SMILES:	O=C4N=C2C(=Cc3c(c1ccccc1)cccc23)n5ccnc45
InChi:	InChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H
Definition date:	2013-11-14
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one

4E1

4E1
Name:	10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
Formula:	C16 H9 I N2 O2
SMILES:	c32c1nc4c(c1c(nc2cccc3)C(O)=O)cccc4I
InChi:	InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
Definition date:	2015-03-05
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid

4E2

4E2
Name:	10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
Formula:	C16 H8 Cl I N2 O2
SMILES:	O=C(O)c1c3c(c2c(n1)ccc(c2)I)nc4c3cccc4Cl
InChi:	InChI=1S/C16H8ClIN2O2/c17-10-3-1-2-8-12-14(20-13(8)10)9-6-7(18)4-5-11(9)19-15(12)16(21)22/h1-6,20H,(H,21,22)
Definition date:	2015-03-05
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid

4E3

4E3
Name:	10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
Formula:	C16 H8 Br I N2 O2
SMILES:	O=C(O)c1c3c(c2c(n1)ccc(c2)I)nc4c3cccc4Br
InChi:	InChI=1S/C16H8BrIN2O2/c17-10-3-1-2-8-12-14(20-13(8)10)9-6-7(18)4-5-11(9)19-15(12)16(21)22/h1-6,20H,(H,21,22)
Definition date:	2015-03-05
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid

4H5

4H5
Name:	(1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile
Formula:	C14 H10 Cl N3 O
SMILES:	c21ccc(cc1n(c3c2ccnc3Cl)CC#N)OC
InChi:	InChI=1S/C14H10ClN3O/c1-19-9-2-3-10-11-4-6-17-14(15)13(11)18(7-5-16)12(10)8-9/h2-4,6,8H,7H2,1H3
Definition date:	2015-03-18
Last modified:	2015-03-20
Release date:	2015-03-25
Identifier:	(1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile

US4

US4
Name:	[(2R,3S,5R)-3-({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Formula:	C21 H28 N7 O11 P
SMILES:	O=C1C(=CN(C(=O)N1)C5OC(COP(=O)(O)O)C(OCOCC4OC(n3cnc2c(ncnc23)N)CC4O)C5)C
InChi:	InChI=1S/C21H28N7O11P/c1-10-4-27(21(31)26-20(10)30)16-3-12(14(39-16)6-37-40(32,33)34)36-9-35-5-13-11(29)2-15(38-13)28-8-25-17-18(22)23-7-24-19(17)28/h4,7-8,11-16,29H,2-3,5-6,9H2,1H3,(H2,22,23,24)(H,26,30,31)(H2,32,33,34)/t11-,12-,13+,14+,15+,16+/m0/s1
Definition date:	2009-06-12
Last modified:	2015-03-19
Identifier:	[(2R,3S,5R)-3-({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)

WG8

WG8
Name:	(4S)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C13 H10 N2 O3 S
SMILES:	O=C(O)C1N=C(SC1)c2nc3c(cc2)cccc3O
InChi:	InChI=1S/C13H10N2O3S/c16-10-3-1-2-7-4-5-8(14-11(7)10)12-15-9(6-19-12)13(17)18/h1-5,9,16H,6H2,(H,17,18)/t9-/m1/s1
Definition date:	2014-05-05
Last modified:	2015-03-13
Release date:	2015-03-18
Identifier:	(4S)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

X00

X00
Name:	{(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
Formula:	C44 H58 N4 O3 S2 Si2
SMILES:	O=C(c1cc(cc(SC)c1)[Si](O[Si](c4cc(C(=O)N3CCC(c2cccc(c2)CN)CC3)cc(SC)c4)(C)C)(C)C)N6CCC(c5cccc(c5)CN)CC6
InChi:	InChI=1S/C44H58N4O3S2Si2/c1-52-39-23-37(43(49)47-17-13-33(14-18-47)35-11-7-9-31(21-35)29-45)25-41(27-39)54(3,4)51-55(5,6)42-26-38(24-40(28-42)53-2)44(50)48-19-15-34(16-20-48)36-12-8-10-32(22-36)30-46/h7-12,21-28,33-34H,13-20,29-30,45-46H2,1-6H3
Definition date:	2013-09-17
Last modified:	2015-03-13
Release date:	2015-03-18
Identifier:	{(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)

ZHN

ZHN
Name:	pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
Formula:	C22 H34 O5
SMILES:	O=C(c1c(cc(O)cc1O)CC(=O)OCCCCC)CCCCCCCC
InChi:	InChI=1S/C22H34O5/c1-3-5-7-8-9-10-12-19(24)22-17(14-18(23)16-20(22)25)15-21(26)27-13-11-6-4-2/h14,16,23,25H,3-13,15H2,1-2H3
Definition date:	2013-12-05
Last modified:	2015-03-13
Release date:	2015-03-18
Identifier:	pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate

X2A

X2A
Name:	(6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide
Formula:	C50 H58 N6 O8
SMILES:	O=C(N2CCC(c1cccc(c1)CN)CC2)c3cc(ccc3)NC(=O)C5(O)OC(OC45CCC4)(C(=O)Nc8cc(C(=O)N7CCC(c6cccc(c6)CN)CC7)ccc8)C9(O)CCC9
InChi:	InChI=1S/C50H58N6O8/c51-31-33-7-1-9-37(27-33)35-15-23-55(24-16-35)43(57)39-11-3-13-41(29-39)53-45(59)49(62)48(21-6-22-48)63-50(64-49,47(61)19-5-20-47)46(60)54-42-14-4-12-40(30-42)44(58)56-25-17-36(18-26-56)38-10-2-8-34(28-38)32-52/h1-4,7-14,27-30,35-36,61-62H,5-6,15-26,31-32,51-52H2,(H,53,59)(H,54,60)/t49-,50+/m0/s1
Definition date:	2013-09-16
Last modified:	2015-03-13
Release date:	2015-03-18
Identifier:	(6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide

JH5

JH5
Name:	1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium
Formula:	C16 H17 N4
SMILES:	n1c[n+](cn1Cc2ccccc2)NCc3ccccc3
InChi:	InChI=1S/C16H17N4/c1-3-7-15(8-4-1)11-17-20-13-18-19(14-20)12-16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2/q+1
Definition date:	2015-01-26
Last modified:	2015-03-13
Release date:	2015-03-18
Identifier:	1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium

2Y6

2Y6
Name:	N-[(R)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
Formula:	C26 H25 Cl N2 O3 S2
SMILES:	Clc1ccccc1C(c3sc2c(cccc2c3)c4nccc(c4)C(O)(C)C)NS(=O)(=O)C5CC5
InChi:	InChI=1S/C26H25ClN2O3S2/c1-26(2,30)17-12-13-28-22(15-17)20-8-5-6-16-14-23(33-25(16)20)24(19-7-3-4-9-21(19)27)29-34(31,32)18-10-11-18/h3-9,12-15,18,24,29-30H,10-11H2,1-2H3/t24-/m1/s1
Definition date:	2014-04-10
Last modified:	2015-03-13
Release date:	2015-03-18
Identifier:	N-[(R)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide

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