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PDB Info pages Status search Chemie search: 44216 results BIRD

T7Q

T7Q
Name:	(2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid
Formula:	C16 H15 N2 O3
SMILES:	O=C(O)C([NH3+])Cc1cc2C(=O)c3ccccc3Nc2cc1
InChi:	InChI=1S/C16H14N2O3/c17-12(16(20)21)8-9-5-6-14-11(7-9)15(19)10-3-1-2-4-13(10)18-14/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/p+1/t12-/m0/s1
Synonyms:	acridone amino acid (RS1)
Definition date:	2022-07-20
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(1S)-1-carboxy-2-(9-oxo-9,10-dihydroacridin-2-yl)ethan-1-aminium

Q2I

Q2I
Name:	1-(1-methyl-1H-pyrazol-5-yl)methanamine
Formula:	C5 H9 N3
SMILES:	NCc1ccnn1C
InChi:	InChI=1S/C5H9N3/c1-8-5(4-6)2-3-7-8/h2-3H,4,6H2,1H3
Definition date:	2022-06-01
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	1-(1-methyl-1H-pyrazol-5-yl)methanamine

Q2O

Q2O
Name:	1-methyl-1H-pyrazol-5-amine
Formula:	C4 H7 N3
SMILES:	Nc1ccnn1C
InChi:	InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
Definition date:	2022-06-01
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	1-methyl-1H-pyrazol-5-amine

LKO

LKO
Name:	16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
Formula:	C27 H25 N2 O4
SMILES:	COc1ccc2c(CCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC
InChi:	InChI=1S/C27H25N2O4/c1-30-23-6-5-19-20(4-3-17-7-10-28-11-8-17)26-21-14-25-24(32-16-33-25)13-18(21)9-12-29(26)15-22(19)27(23)31-2/h5-8,10-11,13-15H,3-4,9,12,16H2,1-2H3/q+1
Definition date:	2022-07-06
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene

Q3F

Q3F
Name:	1-methyl-1H-pyrazol-4-amine
Formula:	C4 H7 N3
SMILES:	Nc1cn(C)nc1
InChi:	InChI=1S/C4H7N3/c1-7-3-4(5)2-6-7/h2-3H,5H2,1H3
Definition date:	2022-06-01
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	1-methyl-1H-pyrazol-4-amine

QCU

QCU
Name:	1,3-dimethylbenzimidazol-2-one
Formula:	C9 H10 N2 O
SMILES:	CN1C(=O)N(C)c2ccccc12
InChi:	InChI=1S/C9H10N2O/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-6H,1-2H3
Definition date:	2022-10-25
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	1,3-dimethylbenzimidazol-2-one

WFR

WFR
Name:	propan-2-yl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)
Formula:	C24 H30 N3 O9 P
SMILES:	CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)OCC1OC(N2C=CC(=O)NC2=O)C(C)(C#C)C1O
InChi:	InChI=1S/C24H30N3O9P/c1-6-24(5)20(29)18(35-22(24)27-13-12-19(28)25-23(27)31)14-33-37(32,36-17-10-8-7-9-11-17)26-16(4)21(30)34-15(2)3/h1,7-13,15-16,18,20,22,29H,14H2,2-5H3,(H,26,32)(H,25,28,31)/t16-,18+,20+,22+,24+,37-/m0/s1
Definition date:	2022-09-06
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	propan-2-yl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)

PKN

PKN
Name:	1H-pyrrole-3-carboxylic acid
Formula:	C5 H5 N O2
SMILES:	O=C(O)c1cc[NH]c1
InChi:	InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
Definition date:	2022-05-26
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	1H-pyrrole-3-carboxylic acid

WG6

WG6
Name:	Sofosbuvir
Formula:	C22 H29 F N3 O9 P
SMILES:	CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)OCC1OC(N2C=CC(=O)NC2=O)C(C)(F)C1O
InChi:	InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1
Definition date:	2022-09-08
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	propan-2-yl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)

GHD

GHD
Name:	(2~{R},4~{S},5~{S},6~{S})-5-acetamido-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2-[[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{R},5~{R})-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid
Formula:	C23 H39 N O19
SMILES:	CC(=O)N[CH]1[CH](O)C[C](OC[CH]2O[CH](O[CH]([CH](O)CO)[CH](O)[CH](O)C=O)[CH](O)[CH](O)[CH]2O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
InChi:	InChI=1S/C23H39NO19/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39)/t8-,9-,10+,11+,12+,13-,14+,15+,16-,17-,18+,19-,20-,21-,23+/m0/s1
Definition date:	2022-02-02
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(2~{R},4~{S},5~{S},6~{S})-5-acetamido-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2-[[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{R},5~{R})-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid

97I

97I
Name:	(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
Formula:	C30 H52 O4
SMILES:	CC(C)=CCC[C](C)(O)[CH]1CC[C]2(C)[CH]1[CH](O)C[CH]3[C]4(C)CC[CH](O)C(C)(C)[CH]4[CH](O)C[C]23C
InChi:	InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30+/m0/s1
Definition date:	2022-01-07
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(3~{S},5~{R},6~{S},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-4,4,8,10,14-pentamethyl-17-[(2~{R})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,6,12-triol

I2K

I2K
Name:	3-sialyllactose
Formula:	C23 H39 N O19
SMILES:	CC(=O)N[CH]1[CH](O)C[C](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]([CH](O)CO)[CH](O)[CH](O)C=O)[CH]2O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
InChi:	InChI=1S/C23H39NO19/c1-7(29)24-13-8(30)2-23(22(38)39,42-19(13)15(35)10(32)4-26)43-20-16(36)12(6-28)40-21(17(20)37)41-18(11(33)5-27)14(34)9(31)3-25/h3,8-21,26-28,30-37H,2,4-6H2,1H3,(H,24,29)(H,38,39)/t8-,9-,10+,11+,12+,13-,14+,15+,16-,17+,18+,19-,20-,21-,23-/m0/s1
Definition date:	2022-02-08
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(2~{S},4~{S},5~{S},6~{S})-5-acetamido-2-[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(2~{R},3~{R},4~{R},5~{R})-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-4-yl]oxy-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

EID

EID
Name:	Lofentanil
Formula:	C25 H32 N2 O3
SMILES:	O=C(OC)C1(CCN(CCc2ccccc2)CC1C)N(c1ccccc1)C(=O)CC
InChi:	InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1
Synonyms:	methyl (3R,4S)-3-methyl-1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate
Definition date:	2021-12-06
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	methyl (3R,4S)-3-methyl-1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

EIG

EIG
Name:	Mitragynine pseudoindoxyl
Formula:	C23 H30 N2 O5
SMILES:	O=C(OC)C(=COC)C1CC2N(CC1CC)CCC21Nc2cccc(OC)c2C1=O
InChi:	InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14?,15-,19-,23-/m0/s1
Synonyms:	methyl (2E)-4-[(2S,2'S)-1'-butyl-4-methoxy-3-oxo-1,3-dihydrospiro[indole-2,3'-pyrrolidin]-2'-yl]-2-(methoxymethylidene)butanoate
Definition date:	2021-12-06
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	methyl (2E)-2-[(1'S,4'R,6'S,7'S,8'aS)-6'-ethyl-4-methoxy-3-oxo-1,2',3,3',6',7',8',8'a-octahydro-5'H-spiro[indole-2,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate

IUV

IUV
Name:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
Formula:	C17 H17 F3 N2 O5
SMILES:	O[CH]1[CH](O)[CH](n2cc(CCc3ccc(cc3)C(F)(F)F)nc2[CH]1O)C(O)=O
InChi:	InChI=1S/C17H17F3N2O5/c18-17(19,20)9-4-1-8(2-5-9)3-6-10-7-22-11(16(26)27)12(23)13(24)14(25)15(22)21-10/h1-2,4-5,7,11-14,23-25H,3,6H2,(H,26,27)/t11-,12+,13-,14+/m0/s1
Definition date:	2022-07-19
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

IVO

IVO
Name:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
Formula:	C8 H10 N2 O5
SMILES:	O[CH]1[CH](O)[CH](n2ccnc2[CH]1O)C(O)=O
InChi:	InChI=1S/C8H10N2O5/c11-4-3(8(14)15)10-2-1-9-7(10)6(13)5(4)12/h1-6,11-13H,(H,14,15)/t3-,4+,5-,6+/m0/s1
Definition date:	2022-07-20
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

IWB

IWB
Name:	methyl 4-[(2~{R})-3-ethanoyl-1-[2-(2-methyl-1~{H}-indol-3-yl)ethyl]-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-2-yl]benzoate
Formula:	C25 H24 N2 O5
SMILES:	COC(=O)c1ccc(cc1)[CH]2N(CCc3c(C)[nH]c4ccccc34)C(=O)C(=C2C(C)=O)O
InChi:	InChI=1S/C25H24N2O5/c1-14-18(19-6-4-5-7-20(19)26-14)12-13-27-22(21(15(2)28)23(29)24(27)30)16-8-10-17(11-9-16)25(31)32-3/h4-11,22,26,29H,12-13H2,1-3H3/t22-/m1/s1
Definition date:	2022-07-21
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	methyl 4-[(2~{R})-3-ethanoyl-1-[2-(2-methyl-1~{H}-indol-3-yl)ethyl]-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-2-yl]benzoate

K0F

K0F
Name:	16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene
Formula:	C29 H29 N2 O4
SMILES:	COc1ccc2c(CCCCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC
InChi:	InChI=1S/C29H29N2O4/c1-32-25-8-7-21-22(6-4-3-5-19-9-12-30-13-10-19)28-23-16-27-26(34-18-35-27)15-20(23)11-14-31(28)17-24(21)29(25)33-2/h7-10,12-13,15-17H,3-6,11,14,18H2,1-2H3/q+1
Synonyms:	Berberine
Definition date:	2022-05-16
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene

2V9

2V9
Name:	Lestaurtinib
Formula:	C26 H21 N3 O4
SMILES:	O=C1NCc2c3c4n(c5ccccc53)C3(C)OC(CC3(O)CO)n3c4c(c21)c1ccccc31
InChi:	InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
Synonyms:	(5S,6S,8R)-6-hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one
Definition date:	2014-02-24
Last modified:	2022-12-01
Release date:	2014-08-27
Identifier:	(4bR,5S,6S,8R,8aS)-6-hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one

XBH

XBH
Name:	~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Formula:	C19 H16 F3 N3 S
SMILES:	FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(cc3)C4CC4)ccn1
InChi:	InChI=1S/C19H16F3N3S/c20-19(21,22)17-9-15(7-8-23-17)24-10-16-11-25-18(26-16)14-5-3-13(4-6-14)12-1-2-12/h3-9,11-12H,1-2,10H2,(H,23,24)
Definition date:	2021-11-22
Last modified:	2022-11-25
Release date:	2022-11-30
Identifier:	~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

KV0

KV0
Name:	4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid
Formula:	C11 H6 F I2 N O3
SMILES:	OC(=O)c1cc(I)c(n2ccc(F)c2)c(I)c1O
InChi:	InChI=1S/C11H6FI2NO3/c12-5-1-2-15(4-5)9-7(13)3-6(11(17)18)10(16)8(9)14/h1-4,16H,(H,17,18)
Definition date:	2022-06-07
Last modified:	2022-11-25
Release date:	2022-11-30
Identifier:	4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid

WNE

WNE
Name:	3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one
Formula:	C24 H31 F N6 O3 S
SMILES:	O=C1NC2C(CCCCCc3nnn(CCCCN4c5cc(C)ccc5OC4=O)c3F)SCC2N1
InChi:	InChI=1S/C24H31FN6O3S/c1-15-9-10-19-18(13-15)30(24(33)34-19)11-5-6-12-31-22(25)16(28-29-31)7-3-2-4-8-20-21-17(14-35-20)26-23(32)27-21/h9-10,13,17,20-21H,2-8,11-12,14H2,1H3,(H2,26,27,32)/t17-,20-,21-/m0/s1
Definition date:	2022-09-30
Last modified:	2022-11-25
Release date:	2022-11-30
Identifier:	3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one

KVA

KVA
Name:	4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid
Formula:	C11 H5 F2 I2 N O3
SMILES:	OC(=O)c1cc(I)c(n2cc(F)c(F)c2)c(I)c1O
InChi:	InChI=1S/C11H5F2I2NO3/c12-5-2-16(3-6(5)13)9-7(14)1-4(11(18)19)10(17)8(9)15/h1-3,17H,(H,18,19)
Definition date:	2022-06-07
Last modified:	2022-11-25
Release date:	2022-11-30
Identifier:	4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid

X3N

X3N
Name:	N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide
Formula:	C18 H19 F2 N5 O4
SMILES:	FC(F)C1COC(=O)N1c1nc2c3ccc(NC(C)C(N)=O)cc3OCCn2c1
InChi:	InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1
Definition date:	2022-10-26
Last modified:	2022-11-25
Release date:	2022-11-30
Identifier:	N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide

X3R

X3R
Name:	(2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide
Formula:	C20 H20 F3 N5 O4
SMILES:	FC(F)(F)C1COC(=O)N1c1nc2c3ccc(NC(C(N)=O)C4CC4)cc3OCCn2c1
InChi:	InChI=1S/C20H20F3N5O4/c21-20(22,23)14-9-32-19(30)28(14)15-8-27-5-6-31-13-7-11(3-4-12(13)18(27)26-15)25-16(17(24)29)10-1-2-10/h3-4,7-8,10,14,16,25H,1-2,5-6,9H2,(H2,24,29)/t14-,16-/m0/s1
Definition date:	2022-10-26
Last modified:	2022-11-25
Release date:	2022-11-30
Identifier:	(2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide

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