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PDB Info pages Status search Chemie search: 43892 results BIRD

OU0

OU0
Name:	2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one
Formula:	C10 H13 N O3
SMILES:	CC(C)C1=CC(=O)ON1C(=O)C2CC2
InChi:	InChI=1S/C10H13NO3/c1-6(2)8-5-9(12)14-11(8)10(13)7-3-4-7/h5-7H,3-4H2,1-2H3
Definition date:	2022-09-20
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one

A93

A93
Name:	4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate
Formula:	C23 H19 F O3
SMILES:	Fc3ccc(OC(=O)c1cccc(c1)C=Cc2cc(c(O)c(c2)C)C)cc3
InChi:	InChI=1S/C23H19FO3/c1-15-12-18(13-16(2)22(15)25)7-6-17-4-3-5-19(14-17)23(26)27-21-10-8-20(24)9-11-21/h3-14,25H,1-2H3/b7-6+
Synonyms:	(E)-4-fluorophenyl 3-(4-hydroxy-3,5-dimethylstyryl)benzoate
Definition date:	2009-06-26
Last modified:	2024-09-27
Identifier:	4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate

OUD

OUD
Name:	(3~{S})-3-azanyl-4-(carboxyamino)butanoic acid
Formula:	C5 H10 N2 O4
SMILES:	N[CH](CNC(O)=O)CC(O)=O
InChi:	InChI=1S/C5H10N2O4/c6-3(1-4(8)9)2-7-5(10)11/h3,7H,1-2,6H2,(H,8,9)(H,10,11)/t3-/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	(3~{S})-3-azanyl-4-(carboxyamino)butanoic acid

OUE

OUE
Name:	(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid
Formula:	C6 H12 N2 O4
SMILES:	N[CH](CCC(O)=O)CNC(O)=O
InChi:	InChI=1S/C6H12N2O4/c7-4(1-2-5(9)10)3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid

OUH

OUH
Name:	[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid
Formula:	C7 H12 N4 O2
SMILES:	N[CH](CNC(O)=O)Cc1[nH]cnc1
InChi:	InChI=1S/C7H12N4O2/c8-5(2-10-7(12)13)1-6-3-9-4-11-6/h3-5,10H,1-2,8H2,(H,9,11)(H,12,13)/t5-/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid

A9C

A9C
Name:	N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Formula:	C34 H45 N5 O3
SMILES:	C1CN(C)CCN1Cc2ccc(cc2)C(=O)NCc3cc(ccc3)COC4CCCC4NC(=O)C(=CC(C)(C)C)C#N
InChi:	InChI=1S/C34H45N5O3/c1-34(2,3)20-29(21-35)33(41)37-30-9-6-10-31(30)42-24-27-8-5-7-26(19-27)22-36-32(40)28-13-11-25(12-14-28)23-39-17-15-38(4)16-18-39/h5,7-8,11-14,19-20,30-31H,6,9-10,15-18,22-24H2,1-4H3,(H,36,40)(H,37,41)/t30-,31+/m1/s1
Definition date:	2018-10-24
Last modified:	2024-09-27
Release date:	2019-10-16
Identifier:	N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide

OUI

OUI
Name:	[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid
Formula:	C7 H16 N2 O2
SMILES:	CC[CH](C)[CH](N)CNC(O)=O
InChi:	InChI=1S/C7H16N2O2/c1-3-5(2)6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t5-,6+/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid

OUK

OUK
Name:	[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium
Formula:	C7 H18 N3 O2
SMILES:	N[CH](CCCC[NH3+])CNC(O)=O
InChi:	InChI=1S/C7H17N3O2/c8-4-2-1-3-6(9)5-10-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/p+1/t6-/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium

OUL

OUL
Name:	4-(4-aminocarbonylphenoxy)benzamide
Formula:	C14 H12 N2 O3
SMILES:	NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
InChi:	InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
Synonyms:	OUL35
Definition date:	2017-09-25
Last modified:	2024-09-27
Release date:	2018-07-25
Identifier:	4-(4-aminocarbonylphenoxy)benzamide

A9F

A9F
Name:	N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Formula:	C34 H45 N5 O3
SMILES:	C1CN(C)CCN1Cc2ccc(cc2)C(=O)NCc3cc(ccc3)COC4C(CCC4)NC(=O)C(=CC(C)(C)C)C#N
InChi:	InChI=1S/C34H45N5O3/c1-34(2,3)20-29(21-35)33(41)37-30-9-6-10-31(30)42-24-27-8-5-7-26(19-27)22-36-32(40)28-13-11-25(12-14-28)23-39-17-15-38(4)16-18-39/h5,7-8,11-14,19-20,30-31H,6,9-10,15-18,22-24H2,1-4H3,(H,36,40)(H,37,41)/t30-,31+/m0/s1
Definition date:	2018-10-24
Last modified:	2024-09-27
Release date:	2019-10-16
Identifier:	N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide

OUR

OUR
Name:	[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
Formula:	C7 H18 N5 O2
SMILES:	N[CH](CCCNC(N)=[NH2+])CNC(O)=O
InChi:	InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium

OUU

OUU
Name:	(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid
Formula:	C11 H19 N O7
SMILES:	CC(=O)NCCO[CH]1[CH](O)[CH](O)C[CH](O)[CH]1C(O)=O
InChi:	InChI=1S/C11H19NO7/c1-5(13)12-2-3-19-10-8(11(17)18)6(14)4-7(15)9(10)16/h6-10,14-16H,2-4H2,1H3,(H,12,13)(H,17,18)/t6-,7-,8-,9+,10+/m0/s1
Definition date:	2022-09-21
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid

OV1

OV1
Name:	N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide
Formula:	C25 H49 N3 O6 S
SMILES:	O=C(NC(C(=O)NC(CC(C)C)C(O)C(C)CO)CCS(=O)C)C(NC(=O)CCCCC)C(C)C
InChi:	InChI=1S/C25H49N3O6S/c1-8-9-10-11-21(30)28-22(17(4)5)25(33)26-19(12-13-35(7)34)24(32)27-20(14-16(2)3)23(31)18(6)15-29/h16-20,22-23,29,31H,8-15H2,1-7H3,(H,26,33)(H,27,32)(H,28,30)/t18-,19+,20+,22+,23+,35-/m1/s1
Synonyms:	Carmaphycin A, bound form
Definition date:	2012-12-10
Last modified:	2024-09-27
Release date:	2014-01-29
Identifier:	N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide

OV2

OV2
Name:	N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide
Formula:	C27 H52 N4 O6
SMILES:	O=C(NC(C(O)C(CO)C)CC(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C
InChi:	InChI=1S/C27H52N4O6/c1-9-10-11-12-22(33)30-24(18(4)5)27(37)28-20(13-14-23(34)31(7)8)26(36)29-21(15-17(2)3)25(35)19(6)16-32/h17-21,24-25,32,35H,9-16H2,1-8H3,(H,28,37)(H,29,36)(H,30,33)/t19-,20+,21+,24+,25+/m1/s1
Synonyms:	Carmaphycin A analogue, bound from
Definition date:	2012-12-10
Last modified:	2024-09-27
Release date:	2014-01-29
Identifier:	N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide

OV3

OV3
Name:	(1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid
Formula:	C11 H16 F3 N O7
SMILES:	O[CH]1C[CH](O)[CH]([CH](OCCNC(=O)C(F)(F)F)[CH]1O)C(O)=O
InChi:	InChI=1S/C11H16F3NO7/c12-11(13,14)10(21)15-1-2-22-8-6(9(19)20)4(16)3-5(17)7(8)18/h4-8,16-18H,1-3H2,(H,15,21)(H,19,20)/t4-,5-,6-,7+,8+/m0/s1
Definition date:	2022-09-21
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	(1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid

OV7

OV7
Name:	(2R)-amino[(carboxymethyl)sulfanyl]acetic acid
Formula:	C4 H7 N O4 S
SMILES:	NC(C(O)=O)SCC(O)=O
InChi:	InChI=1S/C4H7NO4S/c5-3(4(8)9)10-1-2(6)7/h3H,1,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
Definition date:	2019-07-08
Last modified:	2024-09-27
Release date:	2019-08-07
Identifier:	(2R)-amino[(carboxymethyl)sulfanyl]acetic acid

A9Z

A9Z
Name:	2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate)
Formula:	C14 H19 N8 O6 P
SMILES:	O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(n3nnc(c3)CC)C4O
InChi:	InChI=1S/C14H19N8O6P/c1-2-7-3-22(20-19-7)10-11(23)8(4-27-29(24,25)26)28-14(10)21-6-18-9-12(15)16-5-17-13(9)21/h3,5-6,8,10-11,14,23H,2,4H2,1H3,(H2,15,16,17)(H2,24,25,26)/t8-,10-,11-,14-/m1/s1
Definition date:	2013-01-16
Last modified:	2024-09-27
Release date:	2013-07-03
Identifier:	2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate)

OV9

OV9
Name:	2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid
Formula:	C7 H5 N5 O3
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(O)=O
InChi:	InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)
Definition date:	2023-02-14
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid

OVA

OVA
Name:	3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE
Formula:	C16 H26 O5
SMILES:	O=C2C(OC)C(O)(C1(OC1C/C=C(/C)C)C)C(O)(C)CC2
InChi:	InChI=1S/C16H26O5/c1-10(2)6-7-12-15(4,21-12)16(19)13(20-5)11(17)8-9-14(16,3)18/h6,12-13,18-19H,7-9H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1
Synonyms:	OVALICIN
Definition date:	1999-07-23
Last modified:	2024-09-27
Identifier:	(2S,3R,4R)-3,4-dihydroxy-2-methoxy-4-methyl-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexanone

AA1

AA1
Name:	[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID
Formula:	C8 H14 N2 O5
SMILES:	O=C(N(N)CC(=O)O)CCC(=O)OCC
InChi:	InChI=1S/C8H14N2O5/c1-2-15-8(14)4-3-6(11)10(9)5-7(12)13/h2-5,9H2,1H3,(H,12,13)
Definition date:	2005-09-14
Last modified:	2024-09-27
Identifier:	[1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid

AA4

AA4
Name:	2-AMINO-5-HYDROXYPENTANOIC ACID
Formula:	C5 H11 N O3
SMILES:	O=C(O)C(N)CCCO
InChi:	InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1
Definition date:	1999-08-09
Last modified:	2024-09-27
Identifier:	5-hydroxy-L-norvaline

AA8

AA8
Name:	Anguinomycin A, bound form
Formula:	C31 H48 O7
SMILES:	O=C(O)CCCC(O)/C=C/C(=CC(C)C/C=C/C(=C/C(C(=O)C(C)C(O)C(C)CC(=CC(=O)O)C)C)C)C
InChi:	InChI=1S/C31H48O7/c1-20(16-22(3)14-15-27(32)12-9-13-28(33)34)10-8-11-21(2)17-24(5)30(37)26(7)31(38)25(6)18-23(4)19-29(35)36/h8,11,14-17,19-20,24-27,31-32,38H,9-10,12-13,18H2,1-7H3,(H,33,34)(H,35,36)/b11-8+,15-14+,21-17+,22-16-,23-19+/t20-,24-,25+,26-,27-,31-/m1/s1
Definition date:	2012-10-11
Last modified:	2024-09-27
Release date:	2013-01-04
Identifier:	(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R)-6,20-dihydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxotetracosa-2,10,12,16,18-pentaenedioic acid

AAC

AAC
Name:	ACETYLAMINO-ACETIC ACID
Formula:	C4 H7 N O3
SMILES:	O=C(NCC(=O)O)C
InChi:	InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
Definition date:	1999-07-16
Last modified:	2024-09-27
Identifier:	N-acetylglycine

AAE

AAE
Name:	ACETOACETIC ACID
Formula:	C4 H6 O3
SMILES:	O=C(C)CC(=O)O
InChi:	InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-oxobutanoic acid

AAF

AAF
Name:	METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
Formula:	C20 H29 N5 O4
SMILES:	O=C(NCC2NC(C(=O)N1C(CN)CCC1)CC2)Nc3ccc(C(=O)OC)cc3
InChi:	InChI=1S/C20H29N5O4/c1-29-19(27)13-4-6-14(7-5-13)24-20(28)22-12-15-8-9-17(23-15)18(26)25-10-2-3-16(25)11-21/h4-7,15-17,23H,2-3,8-12,21H2,1H3,(H2,22,24,28)/t15-,16+,17+/m1/s1
Definition date:	2006-03-13
Last modified:	2024-09-27
Identifier:	methyl 4-[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}carbamoyl)amino]benzoate

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