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PDB Info pages Status search Chemie search: 7222 results BIRD

5BY

5BY
Name:	{2-[2-(2-{4-[(1E)-4-{[(2S)-1-{[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid
Formula:	C28 H42 B N5 O9
SMILES:	C(=O)(NC(Cc1ccccc1)C(NC(CC(C)C)B(O)O)=O)C[C@H]=[C@H]c2cn(CCOCCOCCOCC(O)=O)nn2
InChi:	InChI=1S/C28H42BN5O9/c1-21(2)17-25(29(39)40)31-28(38)24(18-22-7-4-3-5-8-22)30-26(35)10-6-9-23-19-34(33-32-23)11-12-41-13-14-42-15-16-43-20-27(36)37/h3-9,19,21,24-25,39-40H,10-18,20H2,1-2H3,(H,30,35)(H,31,38)(H,36,37)/b9-6+/t24-,25-/m0/s1
Definition date:	2015-09-04
Last modified:	2015-10-23
Release date:	2015-10-28
Identifier:	{2-[2-(2-{4-[(1E)-4-{[(2S)-1-{[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid

4SQ

4SQ
Name:	tetraglycine phosphinate
Formula:	C8 H16 N3 O6 P
SMILES:	C(O)(CNC(CCP(CNC(CN)=O)(O)=O)=O)=O
InChi:	InChI=1S/C8H16N3O6P/c9-3-7(13)11-5-18(16,17)2-1-6(12)10-4-8(14)15/h1-5,9H2,(H,10,12)(H,11,13)(H,14,15)(H,16,17)
Definition date:	2015-05-21
Last modified:	2015-10-16
Release date:	2015-10-21
Identifier:	N-{3-[(R)-[(glycylamino)methyl](hydroxy)phosphoryl]propanoyl}glycine

3LK

3LK
Name:	BC-3205
Formula:	C32 H54 N2 O5 S
SMILES:	O=C(N4CCCC(SCC(=O)OC3CC(C)(CC)C(O)C(C)C21CCC(=O)C1C3(C)C(C)CC2)C4)C(N)C(C)C
InChi:	InChI=1S/C32H54N2O5S/c1-8-30(6)16-24(31(7)20(4)11-13-32(21(5)28(30)37)14-12-23(35)27(31)32)39-25(36)18-40-22-10-9-15-34(17-22)29(38)26(33)19(2)3/h19-22,24,26-28,37H,8-18,33H2,1-7H3/t20-,21+,22+,24-,26+,27+,28+,30-,31+,32+/m1/s1
Definition date:	2014-09-16
Last modified:	2015-10-16
Release date:	2015-10-21
Identifier:	(3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3S)-1-(L-valyl)piperidin-3-yl]sulfanyl}acetate

XBR

XBR
Name:	3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid
Formula:	C20 H19 Cl N2 O2
SMILES:	OC(=O)CCN1CCc2c([nH]c3ccccc23)[CH]1c4ccc(Cl)cc4
InChi:	InChI=1S/C20H19ClN2O2/c21-14-7-5-13(6-8-14)20-19-16(9-11-23(20)12-10-18(24)25)15-3-1-2-4-17(15)22-19/h1-8,20,22H,9-12H2,(H,24,25)/t20-/m1/s1
Definition date:	2015-07-28
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	3-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propanoic acid

4DT

4DT
Name:	3-[6-({4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1H-indazol-1-yl]propan-1-ol
Formula:	C23 H25 F N8 O
SMILES:	Fc3cnc(NC1=CCC=2C(=C1)N(NC=2)CCCO)nc3N(c5c4cnnc4ccc5)CC
InChi:	InChI=1S/C23H25FN8O/c1-2-31(20-6-3-5-19-17(20)13-26-30-19)22-18(24)14-25-23(29-22)28-16-8-7-15-12-27-32(9-4-10-33)21(15)11-16/h3,5-6,8,11-14,27,33H,2,4,7,9-10H2,1H3,(H,26,30)(H,25,28,29)
Definition date:	2015-03-04
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	3-[6-({4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1H-indazol-1-yl]propan-1-ol

LBR

LBR
Name:	(2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate
Formula:	C30 H57 Br O5
SMILES:	BrCCCCCCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCC)=O)CO
InChi:	InChI=1S/C30H57BrO5/c1-2-3-4-5-6-7-8-12-15-18-21-24-30(34)36-28(26-32)27-35-29(33)23-20-17-14-11-9-10-13-16-19-22-25-31/h28,32H,2-27H2,1H3/t28-/m0/s1
Definition date:	2015-03-12
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	(2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate

4X2

4X2
Name:	(2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid
Formula:	C10 H15 N4 O6 P
SMILES:	n1(cnc2c1N=CNC2=O)CC(OCCP(O)(O)=O)CO
InChi:	InChI=1S/C10H15N4O6P/c15-4-7(20-1-2-21(17,18)19)3-14-6-13-8-9(14)11-5-12-10(8)16/h5-7,15H,1-4H2,(H,11,12,16)(H2,17,18,19)/t7-/m0/s1
Definition date:	2015-06-16
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	(2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid

50E

50E
Name:	N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
Formula:	C17 H22 F3 N5
SMILES:	CC(C)n1nc(Nc2cc(ccn2)C(F)(F)F)cc1C3CCNCC3
InChi:	InChI=1S/C17H22F3N5/c1-11(2)25-14(12-3-6-21-7-4-12)10-16(24-25)23-15-9-13(5-8-22-15)17(18,19)20/h5,8-12,21H,3-4,6-7H2,1-2H3,(H,22,23,24)
Definition date:	2015-07-07
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine

5U1

5U1
Name:	2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
Formula:	C9 H14 N5 O
SMILES:	n1c(OC(C)C)c(c[n+]2nc(N)nc12)C
InChi:	InChI=1S/C9H13N5O/c1-5(2)15-7-6(3)4-14-9(11-7)12-8(10)13-14/h4-5H,1-3H3,(H2,10,13)/p+1
Definition date:	2014-12-04
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium

4O0

4O0
Name:	3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)ethyl]-1H-indol-3-yl}sulfanyl)-2-fluorobenzoic acid
Formula:	C28 H21 Cl F2 N2 O3 S
SMILES:	C(n2c1c(c(Cl)ccc1c(c2C)Sc3cccc(c3F)C(O)=O)F)C(N5CC4(CC4)c6c5cccc6)=O
InChi:	InChI=1S/C28H21ClF2N2O3S/c1-15-26(37-21-8-4-5-16(23(21)30)27(35)36)17-9-10-19(29)24(31)25(17)32(15)13-22(34)33-14-28(11-12-28)18-6-2-3-7-20(18)33/h2-10H,11-14H2,1H3,(H,35,36)
Definition date:	2015-04-23
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)ethyl]-1H-indol-3-yl}sulfanyl)-2-fluorobenzoic acid

4O2

4O2
Name:	3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid
Formula:	C23 H20 F N3 O4
SMILES:	C(CC(O)=O)N5C(=O)C1N(Cc3c(C1)c2ccccc2n3Cc4ccc(cc4)F)C5=O
InChi:	InChI=1S/C23H20FN3O4/c24-15-7-5-14(6-8-15)12-26-18-4-2-1-3-16(18)17-11-19-22(30)25(10-9-21(28)29)23(31)27(19)13-20(17)26/h1-8,19H,9-13H2,(H,28,29)/t19-/m0/s1
Definition date:	2015-04-23
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid

5JN

5JN
Name:	2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate
Formula:	C22 H26 N2 O7
SMILES:	Cc1cc(C)cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C(OCCO[N+](=O)[O-])=O)C
InChi:	InChI=1S/C22H26N2O7/c1-15-11-16(2)13-18(12-15)23-20(25)14-17-5-7-19(8-6-17)31-22(3,4)21(26)29-9-10-30-24(27)28/h5-8,11-13H,9-10,14H2,1-4H3,(H,23,25)
Definition date:	2015-10-02
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate

3LT

3LT
Name:	(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid
Formula:	C19 H32 N4 O11
SMILES:	C1(OC(C(C(C1NC(=O)C)OC(C(NC(C)C(=O)NC(C(=O)N)CCC(=O)O)=O)C)O)CO)O
InChi:	InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1
Definition date:	2014-09-19
Last modified:	2015-10-09
Release date:	2015-10-14
Identifier:	(4R)-4-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoic acid (non-preferred name)

OLM

OLM
Name:	Olmesartan
Formula:	C24 H26 N6 O3
SMILES:	c1c(ccc(c1)Cn2c(CCC)nc(C(O)(C)C)c2C(O)=O)c3ccccc3c4nnnn4
InChi:	InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
Definition date:	2015-05-18
Last modified:	2015-10-02
Release date:	2015-10-07
Identifier:	4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylic acid

QHC

QHC
Name:	N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
Formula:	C18 H18 Cl F N2 O
SMILES:	c1(cc(ccc1Cl)c2cncc3c2CCCC3NC(CC)=O)F
InChi:	InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)/t17-/m1/s1
Definition date:	2015-04-24
Last modified:	2015-10-02
Release date:	2015-10-07
Identifier:	N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

4DJ

4DJ
Name:	3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol
Formula:	C22 H22 N8 O
SMILES:	Cn1c2c(cn1)cc(cc2)Nc3nccc(n3)N(CCCO)c4c5c(ccc4)nnc5
InChi:	InChI=1S/C22H22N8O/c1-29-19-7-6-16(12-15(19)13-25-29)26-22-23-9-8-21(27-22)30(10-3-11-31)20-5-2-4-18-17(20)14-24-28-18/h2,4-9,12-14,31H,3,10-11H2,1H3,(H,24,28)(H,23,26,27)
Definition date:	2015-03-04
Last modified:	2015-09-25
Release date:	2015-09-30
Identifier:	3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol

4DK

4DK
Name:	3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol
Formula:	C24 H23 N7 O2
SMILES:	Cc1c(ocn1)c2cc(ccc2)Nc3nccc(n3)N(CCCO)c4c5c(ccc4)nnc5
InChi:	InChI=1S/C24H23N7O2/c1-16-23(33-15-26-16)17-5-2-6-18(13-17)28-24-25-10-9-22(29-24)31(11-4-12-32)21-8-3-7-20-19(21)14-27-30-20/h2-3,5-10,13-15,32H,4,11-12H2,1H3,(H,27,30)(H,25,28,29)
Definition date:	2015-03-04
Last modified:	2015-09-25
Release date:	2015-09-30
Identifier:	3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol

4DN

4DN
Name:	3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]propan-1-ol
Formula:	C21 H21 N7 O3 S
SMILES:	O=S1(=O)NCc2c1cc(cc2)Nc3nc(ccn3)N(CCCO)c4cccc5nncc45
InChi:	InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)
Definition date:	2015-03-04
Last modified:	2015-09-25
Release date:	2015-09-30
Identifier:	3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]propan-1-ol

191

191
Name:	PROPIONYL COENZYME A
Formula:	C24 H41 N7 O17 P3 S
SMILES:	CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(C1OP(O)(=O)O)O)[N+]=2C=NC=3C=2N=CNC=3N
InChi:	InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H8,25,26,27,28,29,32,36,37,38,39,40,41,42,43)/p+1/t13-,17-,18-,19-,23-/m1/s1
Definition date:	2004-10-26
Last modified:	2015-09-22
Identifier:	6-amino-9-{(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-[(3S,5S,9S)-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphahenicos-1-yl]tetrahydrofuran-2-yl}-1H-purin-9-ium (non-preferred name)

J9K

J9K
Name:	tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate
Formula:	C23 H31 N3 O3 S
SMILES:	O=C(OC(C)(C)C)NC(Cc1ccccc1)CSCCC(=O)NCc2cccnc2
InChi:	InChI=1S/C23H31N3O3S/c1-23(2,3)29-22(28)26-20(14-18-8-5-4-6-9-18)17-30-13-11-21(27)25-16-19-10-7-12-24-15-19/h4-10,12,15,20H,11,13-14,16-17H2,1-3H3,(H,25,27)(H,26,28)/t20-/m0/s1
Definition date:	2014-11-21
Last modified:	2015-09-18
Release date:	2015-09-23
Identifier:	tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate

36Q

36Q
Name:	(2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol
Formula:	C14 H15 N5 O
SMILES:	n2c1c(ncn1)c(nc2)NC(Cc3ccccc3)CO
InChi:	InChI=1S/C14H15N5O/c20-7-11(6-10-4-2-1-3-5-10)19-14-12-13(16-8-15-12)17-9-18-14/h1-5,8-9,11,20H,6-7H2,(H2,15,16,17,18,19)/t11-/m0/s1
Definition date:	2014-06-25
Last modified:	2015-09-18
Release date:	2015-09-23
Identifier:	(2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol

4X7

4X7
Name:	(2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid
Formula:	C10 H16 N5 O6 P
SMILES:	c12c(C(=O)NC(N)=N1)ncn2CC(OCCP(O)(O)=O)CO
InChi:	InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)3-6(4-16)21-1-2-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m0/s1
Definition date:	2015-06-16
Last modified:	2015-09-18
Release date:	2015-09-23
Identifier:	(2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid

4YH

4YH
Name:	(2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
Formula:	C27 H38 N2 O4
SMILES:	COc1c(OC)ccc(c1)C(C(C)C)(C#N)CCCN(C)CCc2ccc(OC)c(c2)OC
InChi:	InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m0/s1
Definition date:	2015-06-24
Last modified:	2015-09-18
Release date:	2015-09-23
Identifier:	(2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile

4HJ

4HJ
Name:	O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine
Formula:	C21 H32 N3 O11 P S
SMILES:	NC(COP(O)(OCC(C)(C)C(C(NCCC(NCCSC(c1c(cccc1)O)=O)=O)=O)O)=O)C(=O)O
InChi:	InChI=1S/C21H32N3O11PS/c1-21(2,12-35-36(32,33)34-11-14(22)19(29)30)17(27)18(28)24-8-7-16(26)23-9-10-37-20(31)13-5-3-4-6-15(13)25/h3-6,14,17,25,27H,7-12,22H2,1-2H3,(H,23,26)(H,24,28)(H,29,30)(H,32,33)/t14-,17-/m0/s1
Definition date:	2015-09-08
Last modified:	2015-09-18
Release date:	2015-09-23
Identifier:	O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine

PKT

PKT
Name:	tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
Formula:	C25 H32 N4 O3 S
SMILES:	O=C(OC(C)(C)C)NC(CSCCC(=O)NCc1cccnc1)Cc3c2ccccc2nc3
InChi:	InChI=1S/C25H32N4O3S/c1-25(2,3)32-24(31)29-20(13-19-16-27-22-9-5-4-8-21(19)22)17-33-12-10-23(30)28-15-18-7-6-11-26-14-18/h4-9,11,14,16,20,27H,10,12-13,15,17H2,1-3H3,(H,28,30)(H,29,31)/t20-/m0/s1
Definition date:	2014-11-24
Last modified:	2015-09-18
Release date:	2015-09-23
Identifier:	tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate

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