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PDB Info pages Status search Chemie search: 43993 results BIRD

U8X

U8X
Name:	~{N}-(4-hydroxyphenyl)-2-pyrazol-1-yl-ethanamide
Formula:	C11 H11 N3 O2
SMILES:	Oc1ccc(NC(=O)Cn2cccn2)cc1
InChi:	InChI=1S/C11H11N3O2/c15-10-4-2-9(3-5-10)13-11(16)8-14-7-1-6-12-14/h1-7,15H,8H2,(H,13,16)
Definition date:	2023-01-30
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	~{N}-(4-hydroxyphenyl)-2-pyrazol-1-yl-ethanamide

U9C

U9C
Name:	~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine
Formula:	C13 H12 N4 S
SMILES:	Nc1ccc(Nc2ccc3c(N)nsc3c2)cc1
InChi:	InChI=1S/C13H12N4S/c14-8-1-3-9(4-2-8)16-10-5-6-11-12(7-10)18-17-13(11)15/h1-7,16H,14H2,(H2,15,17)
Definition date:	2023-01-31
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine

U9X

U9X
Name:	[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate
Formula:	C34 H60 N4 O7
SMILES:	CC[CH](C)[CH](N(C)C)C(=O)O[CH](CC(C)C)C(=O)N[CH](CC(C)C)C(=O)N[CH](C)CCC(=O)N1[CH](CC(C)C)C(=CC1=O)OC
InChi:	InChI=1S/C34H60N4O7/c1-13-23(8)31(37(10)11)34(43)45-28(18-22(6)7)33(42)36-25(16-20(2)3)32(41)35-24(9)14-15-29(39)38-26(17-21(4)5)27(44-12)19-30(38)40/h19-26,28,31H,13-18H2,1-12H3,(H,35,41)(H,36,42)/t23-,24-,25-,26-,28-,31-/m0/s1
Definition date:	2023-01-31
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate

ZTE

ZTE
Name:	N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide
Formula:	C16 H16 N6 O4 S2
SMILES:	NC(=O)CC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cc2ncnc(N)c2s1
InChi:	InChI=1S/C16H16N6O4S2/c17-10(5-13(18)23)16(24)22-28(25,26)9-3-1-2-8(4-9)12-6-11-14(27-12)15(19)21-7-20-11/h1-4,6-7,10H,5,17H2,(H2,18,23)(H,22,24)(H2,19,20,21)/t10-/m0/s1
Definition date:	2023-07-04
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide

VXE

VXE
Name:	N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine
Formula:	C21 H20 N2 O4
SMILES:	CCc1ccc(cc1)C(=O)NC(CC1=CC(=O)Nc2ccccc21)C(=O)O
InChi:	InChI=1S/C21H20N2O4/c1-2-13-7-9-14(10-8-13)20(25)23-18(21(26)27)11-15-12-19(24)22-17-6-4-3-5-16(15)17/h3-10,12,18H,2,11H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t18-/m0/s1
Definition date:	2023-09-19
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine

UAI

UAI
Name:	2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol
Formula:	C15 H14 Cl2 O2
SMILES:	CC(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2
InChi:	InChI=1S/C15H14Cl2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3
Definition date:	2023-01-31
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol

VIU

VIU
Name:	1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine
Formula:	C23 H29 N3 S
SMILES:	CCc1cc(cc2[SH]=C3C=C(C=C(C)C3=Nc12)N4CCCC4)N5CCCC5
InChi:	InChI=1S/C23H29N3S/c1-3-17-13-19(26-10-6-7-11-26)15-21-23(17)24-22-16(2)12-18(14-20(22)27-21)25-8-4-5-9-25/h12-15,27H,3-11H2,1-2H3
Definition date:	2023-03-08
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine

WGF

WGF
Name:	3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide
Formula:	C26 H29 F2 N7 O3
SMILES:	CCC(=O)N1CC(CC1COC)n1nc(C#Cc2c(F)cc3n(cnc3c2F)C2CC2)c(c1NC)C(N)=O
InChi:	InChI=1S/C26H29F2N7O3/c1-4-21(36)33-11-15(9-16(33)12-38-3)35-26(30-2)22(25(29)37)19(32-35)8-7-17-18(27)10-20-24(23(17)28)31-13-34(20)14-5-6-14/h10,13-16,30H,4-6,9,11-12H2,1-3H3,(H2,29,37)/t15-,16+/m0/s1
Synonyms:	KIN-3248
Definition date:	2023-10-03
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide

VJX

VJX
Name:	Rebamipide
Formula:	C19 H15 Cl N2 O4
SMILES:	Clc1ccc(cc1)C(=O)NC(CC1=CC(=O)Nc2ccccc21)C(=O)O
InChi:	InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)/t16-/m0/s1
Synonyms:	N-(4-chlorobenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine
Definition date:	2023-09-13
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	N-(4-chlorobenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine

ZWV

ZWV
Name:	(3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol
Formula:	C28 H42 N8 O3
SMILES:	CCCC(CCO)Nc1nc(N)nc2cnn(Cc3ncc(cc3OC)C3CCN(CC3)C3CCOCC3)c12
InChi:	InChI=1S/C28H42N8O3/c1-3-4-21(7-12-37)32-27-26-23(33-28(29)34-27)17-31-36(26)18-24-25(38-2)15-20(16-30-24)19-5-10-35(11-6-19)22-8-13-39-14-9-22/h15-17,19,21-22,37H,3-14,18H2,1-2H3,(H3,29,32,33,34)/t21-/m0/s1
Definition date:	2023-04-17
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	(3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol

WIQ

WIQ
Name:	3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide
Formula:	C26 H30 Cl N7 O3
SMILES:	CCC(=O)N1CC(CC1COC)n1nc(C#Cc2cc3ncn(C4CC4)c3cc2Cl)c(c1NC)C(N)=O
InChi:	InChI=1S/C26H30ClN7O3/c1-4-23(35)32-12-17(10-18(32)13-37-3)34-26(29-2)24(25(28)36)20(31-34)8-5-15-9-21-22(11-19(15)27)33(14-30-21)16-6-7-16/h9,11,14,16-18,29H,4,6-7,10,12-13H2,1-3H3,(H2,28,36)/t17-,18+/m0/s1
Definition date:	2023-10-04
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide

YVB

YVB
Name:	(2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide
Formula:	C23 H21 N5 O2
SMILES:	Cc1cc(NC(=O)c2cccc(c2)c2nc3c(cccc3[NH]2)C(N)=O)c(N)cc1C
InChi:	InChI=1S/C23H21N5O2/c1-12-9-17(24)19(10-13(12)2)27-23(30)15-6-3-5-14(11-15)22-26-18-8-4-7-16(21(25)29)20(18)28-22/h3-11H,24H2,1-2H3,(H2,25,29)(H,26,28)(H,27,30)
Definition date:	2023-02-22
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	(2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide

WKF

WKF
Name:	4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide
Formula:	C35 H39 N7 O3 S
SMILES:	O=C1N[CH]2CS[CH](CCCCNC3CCC(CC3)(C(=O)Nc4cccc5cccnc45)C(=O)Nc6cccc7cccnc67)[CH]2N1
InChi:	InChI=1S/C35H39N7O3S/c43-32(39-25-11-3-7-22-9-5-19-37-29(22)25)35(33(44)40-26-12-4-8-23-10-6-20-38-30(23)26)16-14-24(15-17-35)36-18-2-1-13-28-31-27(21-46-28)41-34(45)42-31/h3-12,19-20,24,27-28,31,36H,1-2,13-18,21H2,(H,39,43)(H,40,44)(H2,41,42,45)/t27-,28-,31-/m0/s1
Definition date:	2023-10-06
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide

XH9

XH9
Name:	2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile
Formula:	C19 H19 Cl N4 O
SMILES:	Clc1cncc(c1)C(=O)N2CCCN(CC2)Cc3ccccc3C#N
InChi:	InChI=1S/C19H19ClN4O/c20-18-10-17(12-22-13-18)19(25)24-7-3-6-23(8-9-24)14-16-5-2-1-4-15(16)11-21/h1-2,4-5,10,12-13H,3,6-9,14H2
Definition date:	2023-11-02
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

W28

W28
Name:	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
Formula:	C22 H30 N4 O4
SMILES:	CC(C)CC(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C22H30N4O4/c1-13(2)9-18(21(29)24-16(12-27)10-15-7-8-23-20(15)28)26-22(30)19-11-14-5-3-4-6-17(14)25-19/h3-6,11,13,15-16,18,25,27H,7-10,12H2,1-2H3,(H,23,28)(H,24,29)(H,26,30)/t15-,16-,18-/m0/s1
Definition date:	2023-09-21
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide

XHW

XHW
Name:	(5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone
Formula:	C18 H19 Cl2 N3 O
SMILES:	Clc1cncc(c1)C(=O)N2CCCN(CC2)Cc3ccccc3Cl
InChi:	InChI=1S/C18H19Cl2N3O/c19-16-10-15(11-21-12-16)18(24)23-7-3-6-22(8-9-23)13-14-4-1-2-5-17(14)20/h1-2,4-5,10-12H,3,6-9,13H2
Definition date:	2023-11-02
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	(5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone

XI0

XI0
Name:	1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone
Formula:	C18 H19 Cl N2 O
SMILES:	Cc1cncc(CC(=O)N2CCC[CH]2c3cccc(Cl)c3)c1
InChi:	InChI=1S/C18H19ClN2O/c1-13-8-14(12-20-11-13)9-18(22)21-7-3-6-17(21)15-4-2-5-16(19)10-15/h2,4-5,8,10-12,17H,3,6-7,9H2,1H3/t17-/m0/s1
Definition date:	2023-11-02
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone

YH0

YH0
Name:	2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide
Formula:	C24 H20 N6 O2
SMILES:	NC(=O)c1cccc2nc([NH]c12)c1ccc(cc1)C(=O)NCCc1nc2ccccc2[NH]1
InChi:	InChI=1S/C24H20N6O2/c25-22(31)16-4-3-7-19-21(16)30-23(29-19)14-8-10-15(11-9-14)24(32)26-13-12-20-27-17-5-1-2-6-18(17)28-20/h1-11H,12-13H2,(H2,25,31)(H,26,32)(H,27,28)(H,29,30)
Definition date:	2023-02-02
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide

XJ9

XJ9
Name:	1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone
Formula:	C17 H16 Cl2 N2 O
SMILES:	Cc1cncc(CC(=O)N2CCc3cc(Cl)c(Cl)cc3C2)c1
InChi:	InChI=1S/C17H16Cl2N2O/c1-11-4-12(9-20-8-11)5-17(22)21-3-2-13-6-15(18)16(19)7-14(13)10-21/h4,6-9H,2-3,5,10H2,1H3
Definition date:	2023-11-02
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	1-[6,7-bis(chloranyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone

YID

YID
Name:	(6S)-1-(3-tert-butylphenyl)-6-{(5P)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one
Formula:	C34 H42 N4 O3
SMILES:	Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3cc(ccc3)C(C)(C)C)n(C3CCC(OC)CC3)c2cc1
InChi:	InChI=1S/C34H42N4O3/c1-21-32(22(2)41-36-21)23-13-18-29-28(19-23)35-33(38(29)25-14-16-27(40-6)17-15-25)30-11-8-12-31(39)37(30)26-10-7-9-24(20-26)34(3,4)5/h7,9-10,13,18-20,25,27,30H,8,11-12,14-17H2,1-6H3/t25-,27+,30-/m0/s1
Definition date:	2023-02-03
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	(6S)-1-(3-tert-butylphenyl)-6-{(5P)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one

U2H

U2H
Name:	~{N}-methyl-~{N}-[(5-phenylmethoxy-1~{H}-indol-3-yl)methyl]propan-1-amine
Formula:	C20 H24 N2 O
SMILES:	CCCN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChi:	InChI=1S/C20H24N2O/c1-3-11-22(2)14-17-13-21-20-10-9-18(12-19(17)20)23-15-16-7-5-4-6-8-16/h4-10,12-13,21H,3,11,14-15H2,1-2H3
Definition date:	2023-05-11
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	~{N}-methyl-~{N}-[(5-phenylmethoxy-1~{H}-indol-3-yl)methyl]propan-1-amine

YJY

YJY
Name:	(6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one
Formula:	C32 H32 F6 N4 O3
SMILES:	Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3cc(cc(c3)C(F)(F)F)C(F)(F)F)n(C3CCC(OC)CC3)c2cc1
InChi:	InChI=1S/C32H32F6N4O3/c1-17-29(18(2)45-40-17)19-7-12-26-25(13-19)39-30(42(26)22-8-10-24(44-3)11-9-22)27-5-4-6-28(43)41(27)23-15-20(31(33,34)35)14-21(16-23)32(36,37)38/h7,12-16,22,24,27H,4-6,8-11H2,1-3H3/t22-,24+,27-/m0/s1
Definition date:	2023-02-08
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	(6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one

X5W

X5W
Name:	[3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron
Formula:	C27 H25 B N3 O6
SMILES:	COc1ccc2c(OC)cc(nc2c1)C(=O)Nc3cc(cc(c3)C(=O)N(C)Cc4ccccc4)[B](O)=O
InChi:	InChI=1S/C27H25BN3O6/c1-31(16-17-7-5-4-6-8-17)27(33)18-11-19(28(34)35)13-20(12-18)29-26(32)24-15-25(37-3)22-10-9-21(36-2)14-23(22)30-24/h4-15,34H,16H2,1-3H3,(H,29,32)
Definition date:	2023-06-02
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	[3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron

JIE

JIE
Name:	[(2R,3S,4R,5R)-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2S)-2-azanyl-4-methyl-pentanoyl]sulfamate
Formula:	C17 H26 N6 O7 S
SMILES:	CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nccc23
InChi:	InChI=1S/C17H26N6O7S/c1-8(2)5-9(18)16(26)22-31(27,28)29-6-11-13(24)14(25)17(30-11)23-7-21-12-10(23)3-4-20-15(12)19/h3-4,7-9,11,13-14,17,24-25H,5-6,18H2,1-2H3,(H2,19,20)(H,22,26)/t9-,11+,13+,14+,17+/m0/s1
Definition date:	2022-08-17
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

ZNI

ZNI
Name:	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
Formula:	C47 H60 N8 O6 S
SMILES:	CC(OC)c1ncc(cc1c1n(CC)c2ccc3cc2c1CC(C)(C)COC(=O)C1CCCN(N1)C(=O)C(Cc1nc3cs1)NC(=O)C1C2COCC21)N1CCN(CC1)C1CC1
InChi:	InChI=1S/C47H60N8O6S/c1-6-54-39-12-9-28-18-31(39)33(43(54)32-19-30(22-48-42(32)27(2)59-5)53-16-14-52(15-17-53)29-10-11-29)21-47(3,4)26-61-46(58)36-8-7-13-55(51-36)45(57)37(20-40-49-38(28)25-62-40)50-44(56)41-34-23-60-24-35(34)41/h9,12,18-19,22,25,27,29,34-37,41,51H,6-8,10-11,13-17,20-21,23-24,26H2,1-5H3,(H,50,56)/t27-,34-,35+,36-,37-,41+/m0/s1
Synonyms:	RMC-7977
Definition date:	2023-06-29
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (non-preferred name)

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