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7SQ

7SQ
Name:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole
Formula:	C9 H5 Cl F3 N3
SMILES:	FC(F)(F)c1cc(ccc1Cl)n2ccnn2
InChi:	InChI=1S/C9H5ClF3N3/c10-8-2-1-6(16-4-3-14-15-16)5-7(8)9(11,12)13/h1-5H
Definition date:	2021-08-24
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole

7T0

7T0
Name:	1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole
Formula:	C9 H4 Cl2 F3 N3
SMILES:	FC(F)(F)c1c(Cl)ccc(n2ccnn2)c1Cl
InChi:	InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H
Synonyms:	1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole
Definition date:	2021-08-25
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole

7T5

7T5
Name:	(2S,4S)-4-fluoranyl-N-[(3R,5R)-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
Formula:	C30 H35 F N4 O3
SMILES:	CC(C)C(=O)N1C[CH](C[CH]1CNC(=O)c2ccc(cc2)C#Cc3ccc(C)cc3)NC(=O)[CH]4C[CH](F)CN4
InChi:	InChI=1S/C30H35FN4O3/c1-19(2)30(38)35-18-25(34-29(37)27-14-24(31)16-32-27)15-26(35)17-33-28(36)23-12-10-22(11-13-23)9-8-21-6-4-20(3)5-7-21/h4-7,10-13,19,24-27,32H,14-18H2,1-3H3,(H,33,36)(H,34,37)/t24-,25+,26+,27-/m0/s1
Definition date:	2021-08-25
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{S},4~{S})-4-fluoranyl-~{N}-[(3~{R},5~{R})-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide

7TF

7TF
Name:	(2R,4R)-1-cyclopropylcarbonyl-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide
Formula:	C34 H40 F N5 O4
SMILES:	F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](N(C2)C(=O)C3CC3)C(=O)NCc4ccc(cc4)C#Cc5ccc(CN6CCOCC6)cc5
InChi:	InChI=1S/C34H40FN5O4/c35-28-17-30(36-20-28)32(41)38-29-18-31(40(22-29)34(43)27-11-12-27)33(42)37-19-25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)21-39-13-15-44-16-14-39/h3-10,27-31,36H,11-22H2,(H,37,42)(H,38,41)/t28-,29+,30-,31+/m0/s1
Definition date:	2021-08-25
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{R},4~{R})-1-cyclopropylcarbonyl-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-~{N}-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide

7TI

7TI
Name:	4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide
Formula:	C8 H8 Cl3 N3 O4 S2
SMILES:	Nc1cc(C(Cl)=C(Cl)Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O
InChi:	InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)
Synonyms:	clorsulon
Definition date:	2021-08-31
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide

7UE

7UE
Name:	5-pyrrol-1-ylpyridine-3-carboxylic acid
Formula:	C10 H8 N2 O2
SMILES:	OC(=O)c1cncc(c1)n2cccc2
InChi:	InChI=1S/C10H8N2O2/c13-10(14)8-5-9(7-11-6-8)12-3-1-2-4-12/h1-7H,(H,13,14)
Definition date:	2021-09-01
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	5-pyrrol-1-ylpyridine-3-carboxylic acid

SKL

SKL
Name:	2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide
Formula:	C21 H14 Cl N3 O4
SMILES:	[O-][N+](=O)c1cc(c(Cl)cc1)C(=O)Nc1ccc(cc1)c1nc2cc(C)ccc2o1
InChi:	InChI=1S/C21H14ClN3O4/c1-12-2-9-19-18(10-12)24-21(29-19)13-3-5-14(6-4-13)23-20(26)16-11-15(25(27)28)7-8-17(16)22/h2-11H,1H3,(H,23,26)
Definition date:	2022-07-07
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide

8Z3

8Z3
Name:	(2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
Formula:	C29 H32 F N O6 S
SMILES:	Cc1ccc(c(O)c1)c2c(C)c3c(N(Cc4cccc(F)c34)[S](C)(=O)=O)c(C)c2[CH](OC(C)(C)C)C(O)=O
InChi:	InChI=1S/C29H32FNO6S/c1-15-11-12-19(21(32)13-15)22-16(2)23-25-18(9-8-10-20(25)30)14-31(38(7,35)36)26(23)17(3)24(22)27(28(33)34)37-29(4,5)6/h8-13,27,32H,14H2,1-7H3,(H,33,34)/t27-/m0/s1
Definition date:	2021-12-28
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{S})-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6~{H}-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

TJO

TJO
Name:	(2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid
Formula:	C33 H37 Cl N2 O4
SMILES:	CC(C)(C)c1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)n(Cc1ccc(Cl)c(OC(C)C(=O)O)c1)c(C)c2C
InChi:	InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-23-8-14-28(34)30(16-23)40-22(4)32(38)39)29-15-11-25(17-27(19)29)31(37)35-20(2)24-9-12-26(13-10-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m1/s1
Definition date:	2022-07-25
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid

U5I

U5I
Name:	(5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid
Formula:	C52 H48 N4 O8
SMILES:	O=C(O)c1cc(cc(c1)NCc1ccccc1OCCOCCOCCOc1ccccc1CNc1cc(cc(c1)c1ccnc2CC=CCc12)C(=O)O)c1ccnc2ccccc21
InChi:	InChI=1S/C52H48N4O8/c57-51(58)39-27-37(43-17-19-53-47-13-5-3-11-45(43)47)29-41(31-39)55-33-35-9-1-7-15-49(35)63-25-23-61-21-22-62-24-26-64-50-16-8-2-10-36(50)34-56-42-30-38(28-40(32-42)52(59)60)44-18-20-54-48-14-6-4-12-46(44)48/h1-11,13,15-20,27-32,55-56H,12,14,21-26,33-34H2,(H,57,58)(H,59,60)
Definition date:	2022-08-05
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid

U5Q

U5Q
Name:	(5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid
Formula:	C17 H13 N O3
SMILES:	O=C(O)c1cc(ccc1O)c1c(C)ccc2ncccc12
InChi:	InChI=1S/C17H13NO3/c1-10-4-6-14-12(3-2-8-18-14)16(10)11-5-7-15(19)13(9-11)17(20)21/h2-9,19H,1H3,(H,20,21)
Definition date:	2022-08-05
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid

U5X

U5X
Name:	(5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine
Formula:	C21 H16 Cl N3
SMILES:	Clc1ncc(cc1c1cccc2ncccc12)NCc1ccccc1
InChi:	InChI=1S/C21H16ClN3/c22-21-19(17-8-4-10-20-18(17)9-5-11-23-20)12-16(14-25-21)24-13-15-6-2-1-3-7-15/h1-12,14,24H,13H2
Definition date:	2022-08-05
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine

U6C

U6C
Name:	(5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine
Formula:	C25 H28 N6 O
SMILES:	N(CCN1CCOCC1)c1n[NH]c2ccc(cc21)c1cc(NCc2ccccc2)cnc1
InChi:	InChI=1S/C25H28N6O/c1-2-4-19(5-3-1)16-28-22-14-21(17-26-18-22)20-6-7-24-23(15-20)25(30-29-24)27-8-9-31-10-12-32-13-11-31/h1-7,14-15,17-18,28H,8-13,16H2,(H2,27,29,30)
Definition date:	2022-08-05
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine

6G8

6G8
Name:	(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
Formula:	C35 H42 F N5 O4
SMILES:	Cc1cc(ccc1C(=O)NC[CH]2C[CH](CN2C(=O)C3CC3)NC(=O)[CH]4C[CH](F)CN4)C#Cc5ccc(CN6CCOCC6)cc5
InChi:	InChI=1S/C35H42FN5O4/c1-23-16-25(5-2-24-3-6-26(7-4-24)21-40-12-14-45-15-13-40)8-11-31(23)33(42)38-20-30-18-29(22-41(30)35(44)27-9-10-27)39-34(43)32-17-28(36)19-37-32/h3-4,6-8,11,16,27-30,32,37H,9-10,12-15,17-22H2,1H3,(H,38,42)(H,39,43)/t28-,29+,30+,32-/m0/s1
Definition date:	2021-07-26
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

6I1

6I1
Name:	pyren-1-yl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate
Formula:	C35 H26 N2 O7
SMILES:	CN1C(=O)N(CC(=O)Oc2ccc3ccc4cccc5ccc2c3c45)C(=O)c6c(C)c(ccc16)C(=O)C7=C(O)CCCC7=O
InChi:	InChI=1S/C35H26N2O7/c1-18-22(33(41)32-25(38)7-4-8-26(32)39)14-15-24-29(18)34(42)37(35(43)36(24)2)17-28(40)44-27-16-12-21-10-9-19-5-3-6-20-11-13-23(27)31(21)30(19)20/h3,5-6,9-16,38H,4,7-8,17H2,1-2H3
Definition date:	2021-09-10
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	pyren-1-yl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate

6I3

6I3
Name:	2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]ethanamide
Formula:	C20 H22 N4 O4 S
SMILES:	COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2C)c(OC)c1OC
InChi:	InChI=1S/C20H22N4O4S/c1-24-15-8-6-5-7-14(15)22-20(24)29-12-17(25)23-21-11-13-9-10-16(26-2)19(28-4)18(13)27-3/h5-11H,12H2,1-4H3,(H,23,25)/b21-11+
Definition date:	2022-02-15
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	2-(1-methylbenzimidazol-2-yl)sulfanyl-~{N}-[(~{E})-(2,3,4-trimethoxyphenyl)methylideneamino]ethanamide

UHE

UHE
Name:	(S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide
Formula:	C13 H19 N O2 S
SMILES:	COc1ccc(NC(=O)[CH](S)CC(C)C)cc1
InChi:	InChI=1S/C13H19NO2S/c1-9(2)8-12(17)13(15)14-10-4-6-11(16-3)7-5-10/h4-7,9,12,17H,8H2,1-3H3,(H,14,15)/t12-/m0/s1
Synonyms:	(2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide
Definition date:	2021-02-23
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide

UHK

UHK
Name:	(S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide
Formula:	C13 H19 N O S
SMILES:	CC(C)C[CH](S)C(=O)Nc1ccc(C)cc1
InChi:	InChI=1S/C13H19NOS/c1-9(2)8-12(16)13(15)14-11-6-4-10(3)5-7-11/h4-7,9,12,16H,8H2,1-3H3,(H,14,15)/t12-/m0/s1
Synonyms:	(2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide
Definition date:	2021-02-23
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide

6OI

6OI
Name:	(2S,5S,6S)-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic acid
Formula:	C7 H16 N2 O7 S
SMILES:	N[CH](CO[S](O)(=O)=O)[CH](O)CC[CH](N)C(O)=O
InChi:	InChI=1S/C7H16N2O7S/c8-4(7(11)12)1-2-6(10)5(9)3-16-17(13,14)15/h4-6,10H,1-3,8-9H2,(H,11,12)(H,13,14,15)/t4-,5-,6-/m0/s1
Definition date:	2022-02-16
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(2~{S},5~{S},6~{S})-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic acid

UO9

UO9
Name:	(2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H37 N3 O9 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22+,37-/m0/s1
Definition date:	2022-08-23
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(1R,2S)-2-{[N-({2-[(S)-benzenesulfinyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

JCR

JCR
Name:	8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione
Formula:	C22 H20 N6 O2
SMILES:	CCN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5ccccc5n4)nc12
InChi:	InChI=1S/C22H20N6O2/c1-2-27-20-19(21(29)26-22(27)30)28(13-14-8-4-3-5-9-14)18(25-20)12-17-23-15-10-6-7-11-16(15)24-17/h3-11H,2,12-13H2,1H3,(H,23,24)(H,26,29,30)
Definition date:	2022-04-26
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione

JE5

JE5
Name:	8-[[4-[2-[2-[2-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]sulfonylamino]-~{N}-(cyclohexylmethyl)-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide
Formula:	C32 H40 F N6 O9 S
SMILES:	Fc1cc(N[S](=O)(=O)c2ccc(cc2)C(=O)NCCOCCOCCOCCN=[N+]=N)c3OC(=CC(=O)c3c1)C(=O)NCC4CCCCC4
InChi:	InChI=1S/C32H39FN6O9S/c33-24-18-26-28(40)20-29(32(42)36-21-22-4-2-1-3-5-22)48-30(26)27(19-24)38-49(43,44)25-8-6-23(7-9-25)31(41)35-10-12-45-14-16-47-17-15-46-13-11-37-39-34/h6-9,18-20,22,34,38H,1-5,10-17,21H2,(H-,35,36,41,42)/p+1
Definition date:	2022-04-26
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	azanylidene-[2-[2-[2-[2-[[4-[[2-(cyclohexylmethylcarbamoyl)-6-fluoranyl-4-oxidanylidene-chromen-8-yl]sulfamoyl]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]ethylimino]azanium

JMI

JMI
Name:	~{N}-[2-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethyl]ethanamide
Formula:	C16 H23 N O7
SMILES:	CC(=O)NCCc1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1
InChi:	InChI=1S/C16H23NO7/c1-9(19)17-7-6-10-2-4-11(5-3-10)23-16-15(22)14(21)13(20)12(8-18)24-16/h2-5,12-16,18,20-22H,6-8H2,1H3,(H,17,19)/t12-,13-,14+,15+,16+/m1/s1
Definition date:	2022-08-23
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	~{N}-[2-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethyl]ethanamide

VLU

VLU
Name:	(1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H36 Cl N3 O8 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H36ClN3O8S2/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1
Definition date:	2022-08-30
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

VM0

VM0
Name:	(1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H36 Cl N3 O8 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H36ClN3O8S2/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22-/m0/s1
Definition date:	2022-08-30
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

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