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PDB Info pages Status search Chemie search: 7310 results BIRD

7VI

7VI
Name:	N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Formula:	C26 H38 N4 O6
SMILES:	CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C26H38N4O6/c1-16(2)22(30-26(35)36-15-18-6-4-3-5-7-18)25(34)29-21(12-17-8-9-17)24(33)28-20(14-31)13-19-10-11-27-23(19)32/h3-7,16-17,19-22,31H,8-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

7VQ

7VQ
Name:	N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Formula:	C27 H36 N4 O7
SMILES:	O=C1NCCC1CC(CO)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)Cc1ccco1
InChi:	InChI=1S/C27H36N4O7/c1-17(2)23(31-27(36)38-16-18-7-4-3-5-8-18)26(35)30-22(14-21-9-6-12-37-21)25(34)29-20(15-32)13-19-10-11-28-24(19)33/h3-9,12,17,19-20,22-23,32H,10-11,13-16H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,22-,23-/m0/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

7VU

7VU
Name:	(2S)-2-(ethylamino)-3-(4-methylphenyl)propanoic acid
Formula:	C12 H17 N O2
SMILES:	CCN[CH](Cc1ccc(C)cc1)C(O)=O
InChi:	InChI=1S/C12H17NO2/c1-3-13-11(12(14)15)8-10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3,(H,14,15)/t11-/m0/s1
Definition date:	2021-10-29
Last modified:	2024-09-27
Release date:	2023-07-26
Identifier:	(2~{S})-2-(ethylamino)-3-(4-methylphenyl)propanoic acid

7VW

7VW
Name:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Formula:	C30 H48 N4 O7
SMILES:	CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C30H48N4O7/c1-19(41-30(5,6)7)24(34-28(39)40-18-20-11-9-8-10-12-20)27(38)33-23(16-29(2,3)4)26(37)32-22(17-35)15-21-13-14-31-25(21)36/h8-12,19,21-24,35H,13-18H2,1-7H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t19-,21+,22+,23+,24+/m1/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide

7W5

7W5
Name:	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Formula:	C28 H44 N4 O6
SMILES:	CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C28H44N4O6/c1-27(2,3)15-21(24(35)30-20(16-33)14-19-12-13-29-23(19)34)31-25(36)22(28(4,5)6)32-26(37)38-17-18-10-8-7-9-11-18/h7-11,19-22,33H,12-17H2,1-6H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t19-,20-,21-,22+/m0/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide

7XC

7XC
Name:	(2R)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid
Formula:	C10 H14 N4 O2
SMILES:	N[CH](Cc1ccc(NC(N)=N)cc1)C(O)=O
InChi:	InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)/t8-/m1/s1
Definition date:	2017-02-02
Last modified:	2024-09-27
Release date:	2018-07-11
Identifier:	(2~{R})-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid

7XK

7XK
Name:	N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Formula:	C27 H40 N4 O6
SMILES:	O=C(OCc1ccccc1)NC(C1CC1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C27H40N4O6/c1-27(2,3)14-21(24(34)29-20(15-32)13-19-11-12-28-23(19)33)30-25(35)22(18-9-10-18)31-26(36)37-16-17-7-5-4-6-8-17/h4-8,18-22,32H,9-16H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,21-,22-/m0/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide

7XT

7XT
Name:	N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Formula:	C28 H44 N4 O6
SMILES:	CC(C)C(C)(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C28H44N4O6/c1-18(2)28(6,32-26(37)38-17-19-10-8-7-9-11-19)25(36)31-22(15-27(3,4)5)24(35)30-21(16-33)14-20-12-13-29-23(20)34/h7-11,18,20-22,33H,12-17H2,1-6H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t20-,21-,22-,28-/m0/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide

7Y2

7Y2
Name:	N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Formula:	C26 H40 N4 O6
SMILES:	O=C(OCc1ccccc1)NC(C)(C)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C26H40N4O6/c1-25(2,3)14-20(22(33)28-19(15-31)13-18-11-12-27-21(18)32)29-23(34)26(4,5)30-24(35)36-16-17-9-7-6-8-10-17/h6-10,18-20,31H,11-16H2,1-5H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t18-,19-,20-/m0/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide

7YB

7YB
Name:	benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate
Formula:	C28 H40 N4 O6
SMILES:	O=C(OCc1ccccc1)NC1(CC1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C28H40N4O6/c33-17-22(16-21-11-14-29-24(21)34)30-25(35)23(15-19-7-3-1-4-8-19)31-26(36)28(12-13-28)32-27(37)38-18-20-9-5-2-6-10-20/h2,5-6,9-10,19,21-23,33H,1,3-4,7-8,11-18H2,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t21-,22-,23-/m0/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate

7YI

7YI
Name:	benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate
Formula:	C26 H36 N4 O6
SMILES:	O=C(OCc1ccccc1)NC(C1CC1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C26H36N4O6/c31-14-20(13-19-10-11-27-23(19)32)28-24(33)21(12-16-6-7-16)29-25(34)22(18-8-9-18)30-26(35)36-15-17-4-2-1-3-5-17/h1-5,16,18-22,31H,6-15H2,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate

7YQ

7YQ
Name:	O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Formula:	C32 H49 Cl N4 O7
SMILES:	CC(C)(C)OC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C32H49ClN4O7/c1-20(44-32(2,3)4)27(37-31(42)43-19-22-11-8-12-24(33)15-22)30(41)36-26(16-21-9-6-5-7-10-21)29(40)35-25(18-38)17-23-13-14-34-28(23)39/h8,11-12,15,20-21,23,25-27,38H,5-7,9-10,13-14,16-19H2,1-4H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t20-,23+,25+,26+,27+/m1/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

7YW

7YW
Name:	O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C29 H45 Cl N4 O7
SMILES:	CC(C)(C)OC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C29H45ClN4O7/c1-17(2)12-23(26(37)32-22(15-35)14-20-10-11-31-25(20)36)33-27(38)24(18(3)41-29(4,5)6)34-28(39)40-16-19-8-7-9-21(30)13-19/h7-9,13,17-18,20,22-24,35H,10-12,14-16H2,1-6H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t18-,20+,22+,23+,24+/m1/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

7YZ

7YZ
Name:	N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Formula:	C29 H43 Cl N4 O6
SMILES:	CC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C29H43ClN4O6/c1-18(2)25(34-29(39)40-17-20-9-6-10-22(30)13-20)28(38)33-24(14-19-7-4-3-5-8-19)27(37)32-23(16-35)15-21-11-12-31-26(21)36/h6,9-10,13,18-19,21,23-25,35H,3-5,7-8,11-12,14-17H2,1-2H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t21-,23-,24-,25-/m0/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

800

800
Name:	N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C27 H39 N5 O5
SMILES:	CC(C)C(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C27H39N5O5/c1-15(2)11-21(25(35)29-19(14-33)12-18-9-10-28-24(18)34)31-27(37)23(16(3)4)32-26(36)22-13-17-7-5-6-8-20(17)30-22/h5-8,13,15-16,18-19,21,23,30,33H,9-12,14H2,1-4H3,(H,28,34)(H,29,35)(H,31,37)(H,32,36)/t18-,19-,21-,23-/m0/s1
Definition date:	2021-08-24
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

81C

81C
Name:	N-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide
Formula:	C29 H36 Cl N7 O4 S
SMILES:	CCN1CCN(CC1)c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4[S](=O)(=O)C(C)C)n3)cc2NC(=O)C=C
InChi:	InChI=1S/C29H36ClN7O4S/c1-6-27(38)32-22-16-23(25(41-5)17-24(22)37-14-12-36(7-2)13-15-37)34-29-31-18-20(30)28(35-29)33-21-10-8-9-11-26(21)42(39,40)19(3)4/h6,8-11,16-19H,1,7,12-15H2,2-5H3,(H,32,38)(H2,31,33,34,35)
Definition date:	2017-03-15
Last modified:	2024-09-27
Release date:	2017-09-06
Identifier:	~{N}-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide

81L

81L
Name:	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Formula:	C27 H40 N4 O6
SMILES:	CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C27H40N4O6/c1-27(2,3)22(31-26(36)37-16-18-7-5-4-6-8-18)25(35)30-21(13-17-9-10-17)24(34)29-20(15-32)14-19-11-12-28-23(19)33/h4-8,17,19-22,32H,9-16H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,21-,22+/m0/s1
Definition date:	2021-08-31
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

821

821
Name:	[4-((1Z)-2-(ACETYLAMINO)-3-{[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]AMINO}-3-OXOPROP-1-ENYL)-2-FORMYLPHENYL]ACET IC ACID
Formula:	C33 H33 N3 O6
SMILES:	O=C(O)Cc1ccc(cc1C=O)C=C(/NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:	InChI=1S/C33H33N3O6/c1-22(38)34-30(18-24-12-15-27(19-31(39)40)28(17-24)21-37)32(41)35-29-9-5-6-16-36(33(29)42)20-23-10-13-26(14-11-23)25-7-3-2-4-8-25/h2-4,7-8,10-15,17-18,21,29H,5-6,9,16,19-20H2,1H3,(H,34,38)(H,35,41)(H,39,40)/b30-18-/t29-/m0/s1
Synonyms:	RU82129
Definition date:	2003-06-20
Last modified:	2024-09-27
Identifier:	{4-[(1Z)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-en-1-yl]-2-formylphenyl}acetic acid

83F

83F
Name:	tert-butyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate
Formula:	C23 H40 N4 O6
SMILES:	CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)N1C[CH](C)C[CH]1C(=O)N[CH](CO)C[CH]2CCNC2=O
InChi:	InChI=1S/C23H40N4O6/c1-13(2)18(26-22(32)33-23(4,5)6)21(31)27-11-14(3)9-17(27)20(30)25-16(12-28)10-15-7-8-24-19(15)29/h13-18,28H,7-12H2,1-6H3,(H,24,29)(H,25,30)(H,26,32)/t14-,15-,16-,17-,18-/m0/s1
Synonyms:	tert-butyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate
Definition date:	2021-09-30
Last modified:	2024-09-27
Release date:	2023-05-03
Identifier:	~{tert}-butyl ~{N}-[(2~{S})-3-methyl-1-[(2~{S},4~{S})-4-methyl-2-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate

83N

83N
Name:	tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
Formula:	C23 H40 N4 O7
SMILES:	CO[CH]1C[CH](N(C1)C(=O)[CH](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O
InChi:	InChI=1S/C23H40N4O7/c1-13(2)18(26-22(32)34-23(3,4)5)21(31)27-11-16(33-6)10-17(27)20(30)25-15(12-28)9-14-7-8-24-19(14)29/h13-18,28H,7-12H2,1-6H3,(H,24,29)(H,25,30)(H,26,32)/t14-,15-,16-,17-,18-/m0/s1
Synonyms:	tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
Definition date:	2021-09-30
Last modified:	2024-09-27
Release date:	2023-05-03
Identifier:	~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{S})-4-methoxy-2-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

83W

83W
Name:	tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate
Formula:	C25 H44 N4 O7
SMILES:	C[CH](OC(C)(C)C)[CH](NC(=O)OC(C)(C)C)C(=O)N1CCC[CH]1C(=O)N[CH](CO)C[CH]2CCNC2=O
InChi:	InChI=1S/C25H44N4O7/c1-15(35-24(2,3)4)19(28-23(34)36-25(5,6)7)22(33)29-12-8-9-18(29)21(32)27-17(14-30)13-16-10-11-26-20(16)31/h15-19,30H,8-14H2,1-7H3,(H,26,31)(H,27,32)(H,28,34)/t15-,16+,17+,18+,19+/m1/s1
Synonyms:	tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate
Definition date:	2021-09-30
Last modified:	2024-09-27
Release date:	2023-05-03
Identifier:	~{tert}-butyl ~{N}-[(2~{S},3~{R})-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2~{S})-2-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate

84C

84C
Name:	tert-butyl-N-[(2S)-1-[(3S,3aS,6aR)-3-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
Formula:	C25 H42 N4 O6
SMILES:	CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)N1C[CH]2CCC[CH]2[CH]1C(=O)N[CH](CO)C[CH]3CCNC3=O
InChi:	InChI=1S/C25H42N4O6/c1-14(2)19(28-24(34)35-25(3,4)5)23(33)29-12-16-7-6-8-18(16)20(29)22(32)27-17(13-30)11-15-9-10-26-21(15)31/h14-20,30H,6-13H2,1-5H3,(H,26,31)(H,27,32)(H,28,34)/t15-,16-,17-,18-,19-,20-/m0/s1
Synonyms:	tert-butyl N-[(2S)-1-[(3S,3aS,6aR)-3-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
Definition date:	2021-09-30
Last modified:	2024-09-27
Release date:	2023-05-03
Identifier:	~{tert}-butyl ~{N}-[(2~{S})-1-[(3~{S},3~{a}~{S},6~{a}~{R})-3-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

26X

26X
Name:	1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide
Formula:	C27 H27 N7 O2
SMILES:	CCC(=O)N1CC(C1)n2cc(c3ccncc3)c(n2)c4cccc(NC(=O)c5cn(cn5)C6CC6)c4
InChi:	InChI=1S/C27H27N7O2/c1-2-25(35)32-13-22(14-32)34-15-23(18-8-10-28-11-9-18)26(31-34)19-4-3-5-20(12-19)30-27(36)24-16-33(17-29-24)21-6-7-21/h3-5,8-12,15-17,21-22H,2,6-7,13-14H2,1H3,(H,30,36)
Definition date:	2023-07-11
Last modified:	2024-09-27
Release date:	2024-06-05
Identifier:	1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide

295

295
Name:	(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
Formula:	C9 H9 F O4
SMILES:	Fc1ccc(cc1)C(O)C(O)C(=O)O
InChi:	InChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1
Definition date:	2007-11-27
Last modified:	2024-09-27
Identifier:	(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid

296

296
Name:	(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid
Formula:	C10 H11 F2 N O3
SMILES:	O=C(O)C(F)(F)C(c1ccc(OC)cc1)N
InChi:	InChI=1S/C10H11F2NO3/c1-16-7-4-2-6(3-5-7)8(13)10(11,12)9(14)15/h2-5,8H,13H2,1H3,(H,14,15)/t8-/m1/s1
Definition date:	2007-11-27
Last modified:	2024-09-27
Identifier:	(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid

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