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PDB Info pages Status search Chemie search: 7222 results BIRD

YT9

YT9
Name:	3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6$l^{4}-boraspiro[5.5]undecan-9-ol
Formula:	C7 H15 B N O6
SMILES:	OCC1(N)CO[B-]2(OCC(O)CO2)OC1
InChi:	InChI=1S/C7H15BNO6/c9-7(3-10)4-14-8(15-5-7)12-1-6(11)2-13-8/h6,10-11H,1-5,9H2/q-1/t6-,7-,8-/m0/s1
Definition date:	2023-06-20
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	[(2S)-2-amino-2-[(hydroxy-kappaO)methyl]propane-1,3-diolato(2-)-kappaO~1~][(2S)-propane-1,2,3-triolato(2-)-kappa~2~O~1~,O~3~]borate(1-)

YBK

YBK
Name:	8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide
Formula:	C28 H25 F5 N4 O4
SMILES:	CC(C)(O)c1cc(nc(c2ccc(F)cc2)c1F)C(O)(CNC(=O)c1cc2cc(C)nnc2c(c1)OC)C(F)(F)F
InChi:	InChI=1S/C28H25F5N4O4/c1-14-9-16-10-17(11-20(41-4)23(16)37-36-14)25(38)34-13-27(40,28(31,32)33)21-12-19(26(2,3)39)22(30)24(35-21)15-5-7-18(29)8-6-15/h5-12,39-40H,13H2,1-4H3,(H,34,38)/t27-/m0/s1
Definition date:	2023-01-23
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide

TJI

TJI
Name:	ethyl 3-bromanyl-2-methyl-propanoate
Formula:	C6 H11 Br O2
SMILES:	CCOC(=O)[CH](C)CBr
InChi:	InChI=1S/C6H11BrO2/c1-3-9-6(8)5(2)4-7/h5H,3-4H2,1-2H3/t5-/m0/s1
Synonyms:	Ethyl 2-(bromomethyl)acrylate (precursor)
Definition date:	2023-01-06
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	ethyl 3-bromanyl-2-methyl-propanoate

FX9

FX9
Name:	(2S)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
Formula:	C10 H10 F3 N O2
SMILES:	N[CH](Cc1cccc(c1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
Definition date:	2020-06-30
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(2~{S})-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid

FXC

FXC
Name:	(2R)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
Formula:	C10 H10 F3 N O2
SMILES:	N[CH](Cc1cccc(c1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
Definition date:	2020-06-30
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(2~{R})-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid

FXF

FXF
Name:	(2R)-2-azanyl-3-(3-bromophenyl)propanoic acid
Formula:	C9 H10 Br N O2
SMILES:	N[CH](Cc1cccc(Br)c1)C(O)=O
InChi:	InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
Definition date:	2020-06-30
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(2~{R})-2-azanyl-3-(3-bromophenyl)propanoic acid

FXL

FXL
Name:	(2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid
Formula:	C9 H10 Cl N O2
SMILES:	N[CH](Cc1cccc(Cl)c1)C(O)=O
InChi:	InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
Definition date:	2020-06-30
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(2~{R})-2-azanyl-3-(3-chlorophenyl)propanoic acid

5A5

5A5
Name:	2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
Formula:	C14 H16 N2 O2 S
SMILES:	CC(C)c1ccc(Cc2sc(N)nc2C(O)=O)cc1
InChi:	InChI=1S/C14H16N2O2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(13(17)18)16-14(15)19-11/h3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,18)
Definition date:	2023-01-09
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid

VF0

VF0
Name:	(2R)-2-azanyl-3-[oxidanyl-[(2R)-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid
Formula:	C20 H38 N O9 P
SMILES:	CCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O
InChi:	InChI=1S/C20H38NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)28-14-17(22)15-29-31(26,27)30-16-18(21)20(24)25/h5-6,17-18,22H,2-4,7-16,21H2,1H3,(H,24,25)(H,26,27)/t17-,18-/m1/s1
Definition date:	2023-07-21
Last modified:	2023-10-20
Release date:	2023-10-25
Identifier:	(2~{R})-2-azanyl-3-[oxidanyl-[(2~{R})-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid

X2I

X2I
Name:	(15,16)-DIHYDROBILIVERDIN (SINGLY LINKED)
Formula:	C33 H40 N4 O6
SMILES:	O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1CCC(=O)O
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,14,26,34-35H,2,7,9-13,15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-/t26-/m1/s1
Synonyms:	3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid
Definition date:	2023-10-19
Last modified:	2023-10-20
Release date:	2023-10-25
Identifier:	3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid

AU9

AU9
Name:	(2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid
Formula:	C27 H27 N3 O5 S
SMILES:	Cc1c(OCc2oc(SCc3cccc(CN[CH](CO)C(O)=O)c3)nn2)cccc1c4ccccc4
InChi:	InChI=1S/C27H27N3O5S/c1-18-22(21-9-3-2-4-10-21)11-6-12-24(18)34-16-25-29-30-27(35-25)36-17-20-8-5-7-19(13-20)14-28-23(15-31)26(32)33/h2-13,23,28,31H,14-17H2,1H3,(H,32,33)/t23-/m0/s1
Definition date:	2023-05-17
Last modified:	2023-10-20
Release date:	2023-10-25
Identifier:	(2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid

QBF

QBF
Name:	2,6-dimethoxy-4-(3-oxidanylpropyl)phenol
Formula:	C11 H16 O4
SMILES:	COc1cc(CCCO)cc(OC)c1O
InChi:	InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
Synonyms:	propanol syringol
Definition date:	2022-10-18
Last modified:	2023-10-20
Release date:	2023-10-25
Identifier:	2,6-dimethoxy-4-(3-oxidanylpropyl)phenol

2VO

2VO
Name:	Phytochromobilin, bound form
Formula:	C33 H40 N4 O6
SMILES:	CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,14,19-20,34-35H,2,7,9-13,15H2,1,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b27-14-/t19-,20-/m1/s1
Definition date:	2014-02-26
Last modified:	2023-10-17
Release date:	2014-07-16
Identifier:	3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

ZNL

ZNL
Name:	N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide
Formula:	C25 H27 N5 O3 S
SMILES:	O=C(Nc1nc2cccc(C)c2n1C1CCCCN(C1)C(=O)C=C)c1cc(NC(=O)C=C)sc1
InChi:	InChI=1S/C25H27N5O3S/c1-4-20(31)27-21-13-17(15-34-21)24(33)28-25-26-19-11-8-9-16(3)23(19)30(25)18-10-6-7-12-29(14-18)22(32)5-2/h4-5,8-9,11,13,15,18H,1-2,6-7,10,12,14H2,3H3,(H,27,31)(H,26,28,33)/t18-/m0/s1
Definition date:	2022-09-28
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide

ZOQ

ZOQ
Name:	N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide
Formula:	C19 H20 N4 O3 S
SMILES:	CN(C)S(=O)(=O)c1cccc(c1)c1c[NH]c2cnc(cc21)NC(=O)C1CC1
InChi:	InChI=1S/C19H20N4O3S/c1-23(2)27(25,26)14-5-3-4-13(8-14)16-10-20-17-11-21-18(9-15(16)17)22-19(24)12-6-7-12/h3-5,8-12,20H,6-7H2,1-2H3,(H,21,22,24)
Definition date:	2023-06-29
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide

ZVJ

ZVJ
Name:	Fenoterol
Formula:	C17 H21 N O4
SMILES:	Oc1cc(cc(O)c1)C(O)CNC(C)Cc1ccc(O)cc1
InChi:	InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m0/s1
Definition date:	2023-04-06
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	5-[(1S)-1-hydroxy-2-{[(2S)-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl]benzene-1,3-diol

I0Z

I0Z
Name:	1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one
Formula:	C29 H39 N5 O2
SMILES:	CC(C)N1CCC(CC1)C(=O)N2CCC[CH](C2)Cn3c4ccccc4nc3C5=CN(C)C(=O)C(=C5)C
InChi:	InChI=1S/C29H39N5O2/c1-20(2)32-14-11-23(12-15-32)29(36)33-13-7-8-22(17-33)18-34-26-10-6-5-9-25(26)30-27(34)24-16-21(3)28(35)31(4)19-24/h5-6,9-10,16,19-20,22-23H,7-8,11-15,17-18H2,1-4H3/t22-/m1/s1
Definition date:	2023-07-25
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one

OZ6

OZ6
Name:	(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C26 H43 N5 O5
SMILES:	CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C=O)C2(C)C)C(C)(C)C
InChi:	InChI=1S/C26H43N5O5/c1-24(2,3)19(29-23(36)30-25(4,5)6)22(35)31-12-16-17(26(16,7)8)18(31)21(34)28-15(13-32)11-14-9-10-27-20(14)33/h13-19H,9-12H2,1-8H3,(H,27,33)(H,28,34)(H2,29,30,36)/t14-,15-,16-,17-,18-,19+/m0/s1
Definition date:	2023-02-28
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	(1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

P73

P73
Name:	1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea
Formula:	C15 H15 Br2 N3 O
SMILES:	CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1
InChi:	InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)
Definition date:	2023-03-04
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea

HEA

HEA
Name:	HEME-A
Formula:	C49 H56 Fe N4 O6
SMILES:	O=C(O)CCC1=C(C2=Cc4c(c(c3C=C5C(=C(C=6C=C7C(C=O)=C(C8=CC1=N2[Fe](n34)(N5=6)N78)CCC(=O)O)C)C(O)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C)/C=C)C
InChi:	InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39
Definition date:	1999-07-08
Last modified:	2023-10-11
Identifier:	[3,3'-{7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13-trimethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipropanoato(2-)]iron

WR9

WR9
Name:	N-[(3S)-5-amino-5-oxopent-1-en-3-yl]-1-{1-[4-(cyclopropylmethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide
Formula:	C24 H31 N3 O4
SMILES:	O=C(NC(C=C)CC(N)=O)C1CCCN1C(=O)C1(CC1)c1ccc(OCC2CC2)cc1
InChi:	InChI=1S/C24H31N3O4/c1-2-18(14-21(25)28)26-22(29)20-4-3-13-27(20)23(30)24(11-12-24)17-7-9-19(10-8-17)31-15-16-5-6-16/h2,7-10,16,18,20H,1,3-6,11-15H2,(H2,25,28)(H,26,29)/t18-,20+/m1/s1
Definition date:	2022-10-14
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	N-[(3S)-5-amino-5-oxopent-1-en-3-yl]-1-{1-[4-(cyclopropylmethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide

WS9

WS9
Name:	N-[(1E,3R)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-en-3-yl]-1-{1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide
Formula:	C24 H25 F3 N4 O5
SMILES:	FC(F)(F)Oc1ccc(cc1)C1(CC1)C(=O)N1CCCC1C(=O)NC(/C=C/c1ncco1)CC(N)=O
InChi:	InChI=1S/C24H25F3N4O5/c25-24(26,27)36-17-6-3-15(4-7-17)23(9-10-23)22(34)31-12-1-2-18(31)21(33)30-16(14-19(28)32)5-8-20-29-11-13-35-20/h3-8,11,13,16,18H,1-2,9-10,12,14H2,(H2,28,32)(H,30,33)
Definition date:	2022-10-17
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	N-[(1E,3R)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-en-3-yl]-1-{1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide

WSN

WSN
Name:	N-[(2R)-4-amino-1-imino-4-oxobutan-2-yl]-1-(1-{4-[(2,4-difluorophenyl)methoxy]phenyl}cyclopropane-1-carbonyl)-L-prolinamide
Formula:	C26 H28 F2 N4 O4
SMILES:	O=C(NC(C=N)CC(N)=O)C1CCCN1C(=O)C1(CC1)c1ccc(OCc2ccc(F)cc2F)cc1
InChi:	InChI=1S/C26H28F2N4O4/c27-18-6-3-16(21(28)12-18)15-36-20-7-4-17(5-8-20)26(9-10-26)25(35)32-11-1-2-22(32)24(34)31-19(14-29)13-23(30)33/h3-8,12,14,19,22,29H,1-2,9-11,13,15H2,(H2,30,33)(H,31,34)/b29-14-/t19-,22-/m0/s1
Definition date:	2022-10-17
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	N-[(2R)-4-amino-1-imino-4-oxobutan-2-yl]-1-(1-{4-[(2,4-difluorophenyl)methoxy]phenyl}cyclopropane-1-carbonyl)-L-prolinamide

X1D

X1D
Name:	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide
Formula:	C28 H21 F6 N O4 S
SMILES:	O=S(=O)(N(Cc1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChi:	InChI=1S/C28H21F6NO4S/c29-27(30,31)26(36,28(32,33)34)21-13-15-22(16-14-21)35(40(37,38)25-9-5-2-6-10-25)19-20-11-17-24(18-12-20)39-23-7-3-1-4-8-23/h1-18,36H,19H2
Definition date:	2023-05-31
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide

X5K

X5K
Name:	N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide
Formula:	C48 H69 N13 O5 S
SMILES:	Cc1n(C)nc(C)c1CN(C)c1nc(nc(n1)N(C)CCC(=O)NC1CC1)N1CCC(CC1)CCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1)c1scnc1C)C(C)(C)C
InChi:	InChI=1S/C48H69N13O5S/c1-29-37(31(3)59(9)56-29)27-58(8)46-53-45(57(7)21-20-40(64)51-35-15-16-35)54-47(55-46)60-22-18-32(19-23-60)12-17-39(63)52-42(48(4,5)6)44(66)61-26-36(62)24-38(61)43(65)49-25-33-10-13-34(14-11-33)41-30(2)50-28-67-41/h10-11,13-14,28,32,35-36,38,42,62H,12,15-27H2,1-9H3,(H,49,65)(H,51,64)(H,52,63)/t36-,38+,42-/m1/s1
Definition date:	2022-10-28
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide

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