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PDB Info pages Status search Chemie search: 44216 results BIRD

UPH

UPH
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}hexyl)piperidine-3,4,5-triol
Formula:	C24 H38 N4 O7
SMILES:	OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)N1C2CCC1COC2
InChi:	InChI=1S/C24H38N4O7/c29-13-21-23(31)24(32)22(30)12-26(21)10-4-2-1-3-9-25-19-8-7-16(11-20(19)28(33)34)27-17-5-6-18(27)15-35-14-17/h7-8,11,17-18,21-25,29-32H,1-6,9-10,12-15H2/t17-,18+,21-,22+,23-,24-/m1/s1
Definition date:	2022-08-23
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}hexyl)piperidine-3,4,5-triol

KKX

KKX
Name:	(2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid
Formula:	C17 H28 N3 O10 P
SMILES:	CC(=O)N[CH](CC[CH](O)[CH](CO)NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C17H28N3O10P/c1-9-16(24)12(11(5-18-9)8-30-31(27,28)29)6-19-14(7-21)15(23)4-3-13(17(25)26)20-10(2)22/h5,13-15,19,21,23-24H,3-4,6-8H2,1-2H3,(H,20,22)(H,25,26)(H2,27,28,29)/t13-,14-,15-/m0/s1
Synonyms:	PLP-(5S,6S)-N2-acetyl-DADH
Definition date:	2022-09-27
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid

X8B

X8B
Name:	(3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid
Formula:	C14 H15 N2 O7 P
SMILES:	Oc1c(C=C2/CC(=CC2=N)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:	InChI=1S/C14H15N2O7P/c1-7-13(17)11(10(5-16-7)6-23-24(20,21)22)3-8-2-9(14(18)19)4-12(8)15/h3-5,15,17H,2,6H2,1H3,(H,18,19)(H2,20,21,22)/b8-3+,15-12+
Synonyms:	3-Amino-4-fluorocyclopentenecarboxylic Acid
Definition date:	2022-11-06
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid

WSW

WSW
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[3-({[(5M)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol
Formula:	C25 H30 N4 O6 S
SMILES:	CS(=O)(=O)c1cc(cc(c1)NCc1cc(CN2CC(O)C(O)C(O)C2CO)ccc1)c1cccnn1
InChi:	InChI=1S/C25H30N4O6S/c1-36(34,35)20-10-18(21-6-3-7-27-28-21)9-19(11-20)26-12-16-4-2-5-17(8-16)13-29-14-23(31)25(33)24(32)22(29)15-30/h2-11,22-26,30-33H,12-15H2,1H3/t22-,23+,24-,25-/m1/s1
Definition date:	2022-10-17
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[3-({[(5M)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol

WT0

WT0
Name:	(2R,3R,4R,5S)-1-[(3-{[3-bromo-5-(methanesulfonyl)anilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C21 H27 Br N2 O6 S
SMILES:	CS(=O)(=O)c1cc(cc(Br)c1)NCc1cc(CN2CC(O)C(O)C(O)C2CO)ccc1
InChi:	InChI=1S/C21H27BrN2O6S/c1-31(29,30)17-7-15(22)6-16(8-17)23-9-13-3-2-4-14(5-13)10-24-11-19(26)21(28)20(27)18(24)12-25/h2-8,18-21,23,25-28H,9-12H2,1H3/t18-,19+,20-,21-/m1/s1
Definition date:	2022-10-17
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-1-[(3-{[3-bromo-5-(methanesulfonyl)anilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

WT5

WT5
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[6-({[(5M)-3-methyl-5-(1H-pyrrol-2-yl)phenyl]amino}methyl)pyridin-2-yl]methyl}piperidine-3,4,5-triol
Formula:	C24 H30 N4 O4
SMILES:	Cc1cc(cc(c1)c1ccc[NH]1)NCc1nc(CN2CC(O)C(O)C(O)C2CO)ccc1
InChi:	InChI=1S/C24H30N4O4/c1-15-8-16(20-6-3-7-25-20)10-19(9-15)26-11-17-4-2-5-18(27-17)12-28-13-22(30)24(32)23(31)21(28)14-29/h2-10,21-26,29-32H,11-14H2,1H3/t21-,22+,23-,24-/m1/s1
Definition date:	2022-10-18
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[6-({[(5M)-3-methyl-5-(1H-pyrrol-2-yl)phenyl]amino}methyl)pyridin-2-yl]methyl}piperidine-3,4,5-triol

UQH

UQH
Name:	(2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C25 H36 N4 O4
SMILES:	OCC1C(O)C(O)C(O)CN1CCCCCCNc1cc(cc(c1)C1CC1)c1cccnn1
InChi:	InChI=1S/C25H36N4O4/c30-16-22-24(32)25(33)23(31)15-29(22)11-4-2-1-3-9-26-20-13-18(17-7-8-17)12-19(14-20)21-6-5-10-27-28-21/h5-6,10,12-14,17,22-26,30-33H,1-4,7-9,11,15-16H2/t22-,23+,24-,25-/m1/s1
Definition date:	2022-08-23
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

WUR

WUR
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-methyl-5-(pyrimidin-2-yl)-1H-benzimidazol-1-yl]hexyl}piperidine-3,4,5-triol
Formula:	C24 H33 N5 O4
SMILES:	Cc1nc2cc(ccc2n1CCCCCCN1CC(O)C(O)C(O)C1CO)c1ncccn1
InChi:	InChI=1S/C24H33N5O4/c1-16-27-18-13-17(24-25-9-6-10-26-24)7-8-19(18)29(16)12-5-3-2-4-11-28-14-21(31)23(33)22(32)20(28)15-30/h6-10,13,20-23,30-33H,2-5,11-12,14-15H2,1H3/t20-,21+,22-,23-/m1/s1
Definition date:	2022-10-20
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-methyl-5-(pyrimidin-2-yl)-1H-benzimidazol-1-yl]hexyl}piperidine-3,4,5-triol

WV5

WV5
Name:	(2R,3R,4R,5S)-1-[8-(furan-2-yl)octyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C18 H31 N O5
SMILES:	OCC1C(O)C(O)C(O)CN1CCCCCCCCc1ccco1
InChi:	InChI=1S/C18H31NO5/c20-13-15-17(22)18(23)16(21)12-19(15)10-6-4-2-1-3-5-8-14-9-7-11-24-14/h7,9,11,15-18,20-23H,1-6,8,10,12-13H2/t15-,16+,17-,18-/m1/s1
Definition date:	2022-10-20
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-1-[8-(furan-2-yl)octyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

WV9

WV9
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{5-[4-(2-methoxyethyl)phenyl]pentyl}piperidine-3,4,5-triol
Formula:	C20 H33 N O5
SMILES:	COCCc1ccc(cc1)CCCCCN1CC(O)C(O)C(O)C1CO
InChi:	InChI=1S/C20H33NO5/c1-26-12-10-16-8-6-15(7-9-16)5-3-2-4-11-21-13-18(23)20(25)19(24)17(21)14-22/h6-9,17-20,22-25H,2-5,10-14H2,1H3/t17-,18+,19-,20-/m1/s1
Definition date:	2022-10-20
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{5-[4-(2-methoxyethyl)phenyl]pentyl}piperidine-3,4,5-triol

UU6

UU6
Name:	(1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile
Formula:	C24 H26 N6 O
SMILES:	CC(C)(O)C1CCN(C1)c1cc(ncn1)n1ncc2ccc(cc21)C1(C#N)CC21CC2
InChi:	InChI=1S/C24H26N6O/c1-22(2,31)18-5-8-29(12-18)20-10-21(27-15-26-20)30-19-9-17(4-3-16(19)11-28-30)24(14-25)13-23(24)6-7-23/h3-4,9-11,15,18,31H,5-8,12-13H2,1-2H3/t18-,24-/m1/s1
Definition date:	2022-08-26
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile

UUF

UUF
Name:	2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol
Formula:	C22 H23 N7 O
SMILES:	CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)n1ncc2ccc(cc12)c1ccn[NH]1
InChi:	InChI=1S/C22H23N7O/c1-21(2,30)22-9-16(10-22)28(12-22)19-8-20(24-13-23-19)29-18-7-14(17-5-6-25-27-17)3-4-15(18)11-26-29/h3-8,11,13,16,30H,9-10,12H2,1-2H3,(H,25,27)/t16-,22-
Definition date:	2022-08-26
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol

OWI

OWI
Name:	4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline
Formula:	C32 H48 N4 O4 S2
SMILES:	CN(C)c1ccc(cc1)[S](=O)(=O)N2CCCN(CCCN(CC(=C)C2)[S](=O)(=O)c3ccc(C)cc3)CC4CCCCC4
InChi:	InChI=1S/C32H48N4O4S2/c1-27-12-16-31(17-13-27)41(37,38)35-22-8-20-34(26-29-10-6-5-7-11-29)21-9-23-36(25-28(2)24-35)42(39,40)32-18-14-30(15-19-32)33(3)4/h12-19,29H,2,5-11,20-26H2,1,3-4H3
Definition date:	2022-09-27
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline

R0I

R0I
Name:	1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene]
Formula:	C24 H26 N7 Pt
SMILES:	Cn1c(c[n+](C)c1[Pt++]2(C)N3C(=CC=C4C=CC5=CC=C(C)N2C5=C34)C)c6[nH]nnc6.C=C
InChi:	InChI=1S/C14H12N2.C7H9N5.C2H2.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9
Definition date:	2022-11-21
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene]

LB9

LB9
Name:	5-azaniumylpentylazanium
Formula:	C5 H16 N2
SMILES:	[NH3+]CCCCC[NH3+]
InChi:	InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2/p+2
Synonyms:	cadaverine (protonated)
Definition date:	2022-06-29
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	5-azaniumylpentylazanium

TXV

TXV
Name:	~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide
Formula:	C25 H17 Cl F2 N4 O2
SMILES:	CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(F)c(c2F)C(=O)c3c[nH]c4ncc(Cl)cc34
InChi:	InChI=1S/C25H17ClF2N4O2/c1-25(2,12-29)14-5-3-4-13(8-14)24(34)32-19-7-6-18(27)20(21(19)28)22(33)17-11-31-23-16(17)9-15(26)10-30-23/h3-11H,1-2H3,(H,30,31)(H,32,34)
Definition date:	2023-01-18
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide

WFB

WFB
Name:	4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide)
Formula:	C21 H18 N6
SMILES:	N=C(N)c1ccc(cc1)c1ccc2nc([NH]c2c1)c1ccc(cc1)C(=N)N
InChi:	InChI=1S/C21H18N6/c22-19(23)13-3-1-12(2-4-13)16-9-10-17-18(11-16)27-21(26-17)15-7-5-14(6-8-15)20(24)25/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)
Definition date:	2022-09-06
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide)

N3L

N3L
Name:	Penicimutamide E
Formula:	C21 H25 N3 O
SMILES:	CC1(C)C2CC34CCCN4CC2(NC3=O)Cc2c3ccccc3[NH]c21
InChi:	InChI=1S/C21H25N3O/c1-19(2)16-11-21-8-5-9-24(21)12-20(16,23-18(21)25)10-14-13-6-3-4-7-15(13)22-17(14)19/h3-4,6-7,16,22H,5,8-12H2,1-2H3,(H,23,25)/t16-,20-,21+/m1/s1
Definition date:	2022-03-23
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(4R,5aS,12aR,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one

AQL

AQL
Name:	8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one
Formula:	C30 H29 N O6
SMILES:	COc1c(O)cc2Oc3cc4OC(C)(C)C=Cc4c(OCc5ccncc5)c3C(=O)c2c1CC=C(C)C
InChi:	InChI=1S/C30H29NO6/c1-17(2)6-7-20-25-23(14-21(32)28(20)34-5)36-24-15-22-19(8-11-30(3,4)37-22)29(26(24)27(25)33)35-16-18-9-12-31-13-10-18/h6,8-15,32H,7,16H2,1-5H3
Definition date:	2022-03-25
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one

AWI

AWI
Name:	9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one
Formula:	C34 H35 N O6
SMILES:	COc1c(OCC2CC2)cc3Oc4cc5OC(C)(C)C=Cc5c(OCc6ccncc6)c4C(=O)c3c1CC=C(C)C
InChi:	InChI=1S/C34H35NO6/c1-20(2)6-9-24-29-26(17-28(32(24)37-5)38-18-21-7-8-21)40-27-16-25-23(10-13-34(3,4)41-25)33(30(27)31(29)36)39-19-22-11-14-35-15-12-22/h6,10-17,21H,7-9,18-19H2,1-5H3
Definition date:	2022-03-25
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one

7PI

7PI
Name:	1-((5-phenylthiophen-2-yl)sulfonyl)-1H-pyrazole
Formula:	C13 H10 N2 O2 S2
SMILES:	O=[S](=O)(n1cccn1)c2sc(cc2)c3ccccc3
InChi:	InChI=1S/C13H10N2O2S2/c16-19(17,15-10-4-9-14-15)13-8-7-12(18-13)11-5-2-1-3-6-11/h1-10H
Synonyms:	IMTVC-212
Definition date:	2022-06-02
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	1-(5-phenylthiophen-2-yl)sulfonylpyrazole

7Q8

7Q8
Name:	16-chloranyl-~{N},~{N}-dimethyl-15-thia-1$l^{4},12$l^{4},13-triaza-16$l^{4}-indatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-1,3,5,7,9,11,13-heptaen-14-amine
Formula:	C13 H13 Cl In N4 S
SMILES:	CN(C)C(=NN=Cc1ccc2ccccc2n1)S[In]Cl
InChi:	InChI=1S/C13H14N4S.ClH.In/c1-17(2)13(18)16-14-9-11-8-7-10-5-3-4-6-12(10)15-11
Definition date:	2022-02-24
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	16-chloranyl-~{N},~{N}-dimethyl-15-thia-1$l^{4},12$l^{4},13-triaza-16$l^{4}-indatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-1,3,5,7,9,11,13-heptaen-14-amine

5X7

5X7
Name:	(2R,3R,4R,5S)-1-{[4-({4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-nitroanilino}methyl)phenyl]methyl}-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C26 H36 N4 O7
SMILES:	CC1CN(CC(C)O1)c1cc([N+]([O-])=O)c(NCc2ccc(CN3CC(O)C(O)C(O)C3CO)cc2)cc1
InChi:	InChI=1S/C26H36N4O7/c1-16-11-28(12-17(2)37-16)20-7-8-21(22(9-20)30(35)36)27-10-18-3-5-19(6-4-18)13-29-14-24(32)26(34)25(33)23(29)15-31/h3-9,16-17,23-27,31-34H,10-15H2,1-2H3/t16-,17+,23-,24+,25-,26-/m1/s1
Definition date:	2021-07-24
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-1-{[4-({4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-nitroanilino}methyl)phenyl]methyl}-2-(hydroxymethyl)piperidine-3,4,5-triol

884

884
Name:	4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide
Formula:	C22 H19 N5
SMILES:	[N@H]=C(N)c4ccc(c1ccc2c(c1)nc(c2)c3ccc(C(=[N@H])N)cc3)cc4
InChi:	InChI=1S/C22H19N5/c23-21(24)15-5-1-13(2-6-15)17-9-10-18-12-19(27-20(18)11-17)14-3-7-16(8-4-14)22(25)26/h1-12,27H,(H3,23,24)(H3,25,26)
Definition date:	2011-04-26
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide

8B8

8B8
Name:	(2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
Formula:	C32 H36 N6 O5
SMILES:	COc1ccc(nc1)C2(CCCCC2)CNC(=O)[C](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc5ccc(cc5)[N+]([O-])=O
InChi:	InChI=1S/C32H36N6O5/c1-31(18-22-19-33-27-9-5-4-8-26(22)27,37-30(40)36-23-10-12-24(13-11-23)38(41)42)29(39)35-21-32(16-6-3-7-17-32)28-15-14-25(43-2)20-34-28/h4-5,8-15,19-20,33H,3,6-7,16-18,21H2,1-2H3,(H,35,39)(H2,36,37,40)/t31-/m0/s1
Definition date:	2021-12-01
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide

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