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65P

65P
Name:	(2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
Formula:	C31 H32 F2 N2 O4
SMILES:	c1cc(F)c(cc1Cn3c2nc(C)c(c(c2cc3)c5ccc4OCCCc4c5C)C(OC(C)(C)C)C(=O)O)F
InChi:	InChI=1S/C31H32F2N2O4/c1-17-20-7-6-14-38-25(20)11-9-21(17)27-22-12-13-35(16-19-8-10-23(32)24(33)15-19)29(22)34-18(2)26(27)28(30(36)37)39-31(3,4)5/h8-13,15,28H,6-7,14,16H2,1-5H3,(H,36,37)/t28-/m0/s1
Definition date:	2016-01-28
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	(2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid

65Y

65Y
Name:	6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid
Formula:	C22 H22 Cl N O2
SMILES:	c2c3c(c1cccc(C(C)C)c1)c(c(C(C)C)nc3ccc2Cl)C(=O)O
InChi:	InChI=1S/C22H22ClNO2/c1-12(2)14-6-5-7-15(10-14)19-17-11-16(23)8-9-18(17)24-21(13(3)4)20(19)22(25)26/h5-13H,1-4H3,(H,25,26)
Definition date:	2016-02-02
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	6-chloro-2-(propan-2-yl)-4-[3-(propan-2-yl)phenyl]quinoline-3-carboxylic acid

67U

67U
Name:	6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
Formula:	C13 H14 Br N5
SMILES:	CC(C)c1c(cn(n1)C)c3nc2c(ncc(c2)Br)n3
InChi:	InChI=1S/C13H14BrN5/c1-7(2)11-9(6-19(3)18-11)12-16-10-4-8(14)5-15-13(10)17-12/h4-7H,1-3H3,(H,15,16,17)
Definition date:	2016-02-16
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine

6A8

6A8
Name:	((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol
Formula:	C25 H35 B N6 O5
SMILES:	O=C(NC(Cc1ccc(cc1)CN)C(NC(B2OC(CO)CO2)CCCN/C(N)=N)=O)c3ccccc3
InChi:	InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-16-20(15-33)37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t20-,21-,22-/m0/s1
Definition date:	2016-02-25
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	4-(aminomethyl)-Nalpha-(benzenecarbonyl)-N-{(1R)-4-carbamimidamido-1-[(4S)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]butyl}-L-phenylalaninamide

73R

73R
Name:	(3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one
Formula:	C26 H36 F3 N5 O
SMILES:	c43c(c(NC1C(=O)N(CC1)C2CCC(CC2CCC)N(C(C)C)C)ncn3)cc(cc4)C(F)(F)F
InChi:	InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1
Definition date:	2016-08-19
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	(3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one

Q28

Q28
Name:	4-[3-(8-METHYL-4-OXO-3,4-DIHYDROQUINAZOLIN-2- YL)PROPANAMIDO]-N-(QUINOLIN-8-YL)BENZAMIDE
Formula:	C28 H23 N5 O3
SMILES:	Cc1cccc2C(=O)NC(=Nc12)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5cccnc45
InChi:	InChI=1S/C28H23N5O3/c1-17-5-2-8-21-25(17)32-23(33-28(21)36)14-15-24(34)30-20-12-10-19(11-13-20)27(35)31-22-9-3-6-18-7-4-16-29-26(18)22/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,32,33,36)
Definition date:	2015-11-30
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	4-[3-(8-methyl-4-oxidanylidene-3H-quinazolin-2-yl)propanoylamino]-N-quinolin-8-yl-benzamide

6QE

6QE
Name:	~{N}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide
Formula:	C22 H22 F2 N2 O4 S
SMILES:	Cc1noc(COc2cccc(F)c2F)c1c3ccc(CN[S](=O)(=O)C4(C)CC4)cc3
InChi:	InChI=1S/C22H22F2N2O4S/c1-14-20(19(30-26-14)13-29-18-5-3-4-17(23)21(18)24)16-8-6-15(7-9-16)12-25-31(27,28)22(2)10-11-22/h3-9,25H,10-13H2,1-2H3
Definition date:	2016-06-03
Last modified:	2016-12-02
Release date:	2016-12-07
Identifier:	~{N}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide

9NU

9NU
Name:	(2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide
Formula:	C32 H40 N6 O5
SMILES:	CNC(=O)[CH]1C[CH](CN1C(=O)c2ccccc2)NC(=O)[CH](NC(=O)c3ccc(Cn4cccn4)cc3)[CH](C)OC(C)(C)C
InChi:	InChI=1S/C32H40N6O5/c1-21(43-32(2,3)4)27(36-28(39)23-14-12-22(13-15-23)19-37-17-9-16-34-37)30(41)35-25-18-26(29(40)33-5)38(20-25)31(42)24-10-7-6-8-11-24/h6-17,21,25-27H,18-20H2,1-5H3,(H,33,40)(H,35,41)(H,36,39)/t21-,25+,26+,27+/m1/s1
Definition date:	2016-03-22
Last modified:	2016-11-25
Release date:	2016-11-30
Identifier:	(2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide

54P

54P
Name:	3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol
Formula:	C16 H18 Cl N O
SMILES:	C(NCc1cc(Cl)c(cc1)c2ccccc2)CCO
InChi:	InChI=1S/C16H18ClNO/c17-16-11-13(12-18-9-4-10-19)7-8-15(16)14-5-2-1-3-6-14/h1-3,5-8,11,18-19H,4,9-10,12H2
Definition date:	2015-07-23
Last modified:	2016-11-25
Release date:	2016-11-30
Identifier:	3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol

551

551
Name:	methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate
Formula:	C20 H23 Cl N2 O3
SMILES:	C(=O)(CC(=O)NCCCNCc1cc(c(cc1)c2ccccc2)Cl)OC
InChi:	InChI=1S/C20H23ClN2O3/c1-26-20(25)13-19(24)23-11-5-10-22-14-15-8-9-17(18(21)12-15)16-6-3-2-4-7-16/h2-4,6-9,12,22H,5,10-11,13-14H2,1H3,(H,23,24)
Definition date:	2015-07-27
Last modified:	2016-11-25
Release date:	2016-11-30
Identifier:	methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate

6DB

6DB
Name:	octopine
Formula:	C9 H18 N4 O4
SMILES:	O=C(O)C(NC(C(O)=O)CCCNC(=N)N)C
InChi:	InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1
Definition date:	2016-03-17
Last modified:	2016-11-25
Release date:	2016-11-30
Identifier:	N~2~-[(1R)-1-carboxyethyl]-L-arginine

6HM

6HM
Name:	[([1,1'-biphenyl]-2-yl)methyl]propanedioic acid
Formula:	C16 H14 O4
SMILES:	c2ccc(c1ccccc1)c(CC(C(O)=O)C(O)=O)c2
InChi:	InChI=1S/C16H14O4/c17-15(18)14(16(19)20)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)(H,19,20)
Definition date:	2016-04-12
Last modified:	2016-11-25
Release date:	2016-11-30
Identifier:	[([1,1'-biphenyl]-2-yl)methyl]propanedioic acid

3LF

3LF
Name:	3-(3,4,5-trimethoxyphenyl)propanoic acid
Formula:	C12 H16 O5
SMILES:	O=C(O)CCc1cc(OC)c(OC)c(OC)c1
InChi:	InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
Definition date:	2014-09-12
Last modified:	2016-11-25
Release date:	2016-11-30
Identifier:	3-(3,4,5-trimethoxyphenyl)propanoic acid

7C4

7C4
Name:	(2~{S})-~{N}-[(2~{R})-1-[[(3~{S},6~{S},8~{S},12~{S},13~{R},16~{S},17~{R},20~{S},23~{S})-13-[(2~{S})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{N}-methyl-1-[(2~{S})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide
Formula:	C57 H89 N7 O15
SMILES:	CC[CH](C)[CH]1NC(=O)[CH](NC(=O)[CH](CC(C)C)N(C)C(=O)[CH]2CCCN2C(=O)[CH](C)O)[CH](C)OC(=O)[CH](Cc3ccc(OC)cc3)N(C)C(=O)[CH]4CCCN4C(=O)[CH](CC(C)C)NC(=O)[CH](C)C(=O)[CH](OC(=O)C[CH]1O)C(C)C
InChi:	InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1
Definition date:	2016-10-03
Last modified:	2016-11-25
Release date:	2016-11-30
Identifier:	(2~{S})-~{N}-[(2~{R})-1-[[(3~{S},6~{S},8~{S},12~{S},13~{R},16~{S},17~{R},20~{S},23~{S})-13-[(2~{S})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{N}-methyl-1-[(2~{S})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide

7H2

7H2
Name:	(1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
Formula:	C18 H13 Cl F3 N5 O
SMILES:	C=3C2=NC(Cn1nc(cc1Cl)C(F)(F)F)=CC(N2C(=C(C=3)C)C4CC4C#N)=O
InChi:	InChI=1S/C18H13ClF3N5O/c1-9-2-3-15-24-11(8-26-14(19)6-13(25-26)18(20,21)22)5-16(28)27(15)17(9)12-4-10(12)7-23/h2-3,5-6,10,12H,4,8H2,1H3/t10-,12+/m0/s1
Definition date:	2016-10-24
Last modified:	2016-11-25
Release date:	2016-11-30
Identifier:	(1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile

65W

65W
Name:	2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid
Formula:	C20 H18 O3
SMILES:	O=C(C(C)(C)Oc1ccc(cc1)c3c2ccccc2ccc3)O
InChi:	InChI=1S/C20H18O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H,21,22)
Definition date:	2016-02-02
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid

7DY

7DY
Name:	N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
Formula:	C27 H25 Cl F3 N3 O2
SMILES:	c1cc(C(F)(F)F)cnc1OC(C)(C(NC(C)C(c2cc(C#N)ccc2)Cc3ccc(cc3)Cl)=O)C
InChi:	InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
Definition date:	2016-10-12
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide

5P4

5P4
Name:	propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Formula:	C20 H24 N2 O4
SMILES:	CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3occc3
InChi:	InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
Definition date:	2015-11-03
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate

5QS

5QS
Name:	1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol
Formula:	C21 H25 N7 O
SMILES:	CC(C)(O)CNc1ncc(c(CC2CC2)n1)c3ccnc(Nc4ccncc4)n3
InChi:	InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
Definition date:	2015-11-11
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol

5CR

5CR
Name:	N-acetyl-L-phenylalanine
Formula:	C11 H13 N O3
SMILES:	CC(=O)N[CH](Cc1ccccc1)C(O)=O
InChi:	InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
Definition date:	2015-10-12
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	(2S)-2-acetamido-3-phenyl-propanoic acid

6V4

6V4
Name:	N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide
Formula:	C32 H34 N6 O4 S
SMILES:	CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(NC(=O)Nc4ccccc4)c3)C(=O)N5CCN(C)CC5
InChi:	InChI=1S/C32H34N6O4S/c1-21(2)42-28-19-23(31(40)38-16-14-37(3)15-17-38)12-13-26(28)35-29(39)27-20-43-30(36-27)22-8-7-11-25(18-22)34-32(41)33-24-9-5-4-6-10-24/h4-13,18-21H,14-17H2,1-3H3,(H,35,39)(H2,33,34,41)
Definition date:	2016-07-01
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	~{N}-[4-(4-methylpiperazin-1-yl)carbonyl-2-propan-2-yloxy-phenyl]-2-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-4-carboxamide

6V5

6V5
Name:	N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide
Formula:	C32 H33 N5 O4 S
SMILES:	CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)C(=O)Nc4ccccc4)C(=O)N5CCN(C)CC5
InChi:	InChI=1S/C32H33N5O4S/c1-21(2)41-28-19-24(32(40)37-16-14-36(3)15-17-37)12-13-26(28)34-30(39)27-20-42-31(35-27)23-9-7-8-22(18-23)29(38)33-25-10-5-4-6-11-25/h4-13,18-21H,14-17H2,1-3H3,(H,33,38)(H,34,39)
Definition date:	2016-07-01
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	~{N}-[4-(4-methylpiperazin-1-yl)carbonyl-2-propan-2-yloxy-phenyl]-2-[3-(phenylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

NPQ

NPQ
Name:	N-acetyl naphthylalanine
Formula:	C15 H15 N O3
SMILES:	CC(=O)N[CH](Cc1ccc2ccccc2c1)C(O)=O
InChi:	InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1
Definition date:	2015-10-12
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	(2S)-2-acetamido-3-naphthalen-2-yl-propanoic acid

GV0

GV0
Name:	golvatinib
Formula:	C33 H37 F2 N7 O4
SMILES:	C1CN(C)CCN1C2CCN(CC2)C(Nc3nccc(c3)Oc4ccc(c(c4)F)NC(C5(CC5)C(Nc6ccc(cc6)F)=O)=O)=O
InChi:	InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)
Definition date:	2016-02-21
Last modified:	2016-11-04
Release date:	2016-11-09
Identifier:	N~1~-{2-fluoro-4-[(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N'~1~-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

6N5

6N5
Name:	~{N}-[(2~{S})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide
Formula:	C36 H43 N3 O6
SMILES:	COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)C2=CC3=CCC=CC3=C2C)C(=O)N[CH](Cc4ccccc4)[CH](O)[CH](C)CO)cc1
InChi:	InChI=1S/C36H43N3O6/c1-22(21-40)33(41)31(18-25-10-6-5-7-11-25)38-36(44)32(19-26-14-16-28(45-4)17-15-26)39-34(42)24(3)37-35(43)30-20-27-12-8-9-13-29(27)23(30)2/h5-7,9-17,20,22,24,31-33,40-41H,8,18-19,21H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)/t22-,24+,31+,32+,33+/m1/s1
Definition date:	2016-05-30
Last modified:	2016-11-04
Release date:	2016-11-09
Identifier:	~{N}-[(2~{S})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide

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