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F6U

F6U
Name:	[(2R,3R)-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
Formula:	C11 H17 N6 O6 P
SMILES:	C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)Cn1cnc2c(N)ncnc12
InChi:	InChI=1S/C11H17N6O6P/c1-6(23-24(20,21)22)7(3-18)16-8(19)2-17-5-15-9-10(12)13-4-14-11(9)17/h4-7,18H,2-3H2,1H3,(H,16,19)(H2,12,13,14)(H2,20,21,22)/t6-,7-/m1/s1
Definition date:	2020-04-03
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	[(2~{R},3~{R})-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate

F6X

F6X
Name:	[(2R,3R)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
Formula:	C10 H17 N4 O7 P
SMILES:	C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)CN1C=CC(=NC1=O)N
InChi:	InChI=1S/C10H17N4O7P/c1-6(21-22(18,19)20)7(5-15)12-9(16)4-14-3-2-8(11)13-10(14)17/h2-3,6-7,15H,4-5H2,1H3,(H,12,16)(H2,11,13,17)(H2,18,19,20)/t6-,7-/m1/s1
Definition date:	2020-04-03
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	[(2~{R},3~{R})-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate

F73

F73
Name:	[(2R,3R)-3-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
Formula:	C11 H17 N6 O7 P
SMILES:	C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N
InChi:	InChI=1S/C11H17N6O7P/c1-5(24-25(21,22)23)6(3-18)14-7(19)2-17-4-13-8-9(17)15-11(12)16-10(8)20/h4-6,18H,2-3H2,1H3,(H,14,19)(H2,21,22,23)(H3,12,15,16,20)/t5-,6-/m1/s1
Definition date:	2020-04-03
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	[(2~{R},3~{R})-3-[2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate

F7O

F7O
Name:	[(2R)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
Formula:	C10 H15 N6 O6 P
SMILES:	Nc1ncnc2n(CC(=O)N[CH](CO)CO[P](O)(O)=O)cnc12
InChi:	InChI=1S/C10H15N6O6P/c11-9-8-10(13-4-12-9)16(5-14-8)1-7(18)15-6(2-17)3-22-23(19,20)21/h4-6,17H,1-3H2,(H,15,18)(H2,11,12,13)(H2,19,20,21)/t6-/m1/s1
Definition date:	2020-04-07
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	[(2~{R})-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate

F7R

F7R
Name:	[(2R)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
Formula:	C9 H15 N4 O7 P
SMILES:	NC1=NC(=O)N(CC(=O)N[CH](CO)CO[P](O)(O)=O)C=C1
InChi:	InChI=1S/C9H15N4O7P/c10-7-1-2-13(9(16)12-7)3-8(15)11-6(4-14)5-20-21(17,18)19/h1-2,6,14H,3-5H2,(H,11,15)(H2,10,12,16)(H2,17,18,19)/t6-/m1/s1
Definition date:	2020-04-07
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	[(2~{R})-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate

F7U

F7U
Name:	2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[1,3-bis(oxidanyl)propan-2-yl]ethanamide
Formula:	C10 H14 N6 O4
SMILES:	NC1=Nc2n(CC(=O)NC(CO)CO)cnc2C(=O)N1
InChi:	InChI=1S/C10H14N6O4/c11-10-14-8-7(9(20)15-10)12-4-16(8)1-6(19)13-5(2-17)3-18/h4-5,17-18H,1-3H2,(H,13,19)(H3,11,14,15,20)
Definition date:	2020-04-07
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-~{N}-[1,3-bis(oxidanyl)propan-2-yl]ethanamide

F7X

F7X
Name:	[(2R)-2-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
Formula:	C10 H15 N6 O7 P
SMILES:	NC1=Nc2n(CC(=O)N[CH](CO)CO[P](O)(O)=O)cnc2C(=O)N1
InChi:	InChI=1S/C10H15N6O7P/c11-10-14-8-7(9(19)15-10)12-4-16(8)1-6(18)13-5(2-17)3-23-24(20,21)22/h4-5,17H,1-3H2,(H,13,18)(H2,20,21,22)(H3,11,14,15,19)/t5-/m1/s1
Definition date:	2020-04-07
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	[(2~{R})-2-[2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate

FGU

FGU
Name:	S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate
Formula:	C10 H20 N2 O2 S
SMILES:	CC(C)C[CH](N)C(=O)SCCNC(C)=O
InChi:	InChI=1S/C10H20N2O2S/c1-7(2)6-9(11)10(14)15-5-4-12-8(3)13/h7,9H,4-6,11H2,1-3H3,(H,12,13)/t9-/m0/s1
Definition date:	2020-05-12
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	~{S}-(2-acetamidoethyl) (2~{S})-2-azanyl-4-methyl-pentanethioate

NXT

NXT
Name:	4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
Formula:	C9 H10 O3
SMILES:	OC(=O)c1coc2CCCCc12
InChi:	InChI=1S/C9H10O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)
Definition date:	2020-01-07
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

NYQ

NYQ
Name:	5-bromanyl-1,3-dihydroindol-2-one
Formula:	C8 H6 Br N O
SMILES:	Brc1ccc2NC(=O)Cc2c1
InChi:	InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
Definition date:	2020-01-10
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	5-bromanyl-1,3-dihydroindol-2-one

O1N

O1N
Name:	dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(II)
Formula:	C19 H20 Cl2 N2 Os
SMILES:	CC(C)[C]12CC[C](C)(CC1)[Os]2(Cl)(Cl)c3n(C)c4ccccc4[n]3C
InChi:	InChI=1S/C10H14.C9H10N2.2ClH.Os/c1-8(2)10-6-4-9(3)5-7-10
Definition date:	2019-07-03
Last modified:	2020-11-20
Release date:	2020-11-25

UCS

UCS
Name:	N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-L-leucinamide
Formula:	C22 H33 N3 O7 S
SMILES:	c1ccccc1COC(NC(C(=O)NC(C(O)S(=O)(O)=C)CC2CCNC2=O)CC(C)C)=O
InChi:	InChI=1S/C22H33N3O7S/c1-14(2)11-17(25-22(29)32-13-15-7-5-4-6-8-15)20(27)24-18(21(28)33(3,30)31)12-16-9-10-23-19(16)26/h4-8,14,16-18,21,28H,3,9-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31)/t16-,17-,18-,21+/m0/s1
Definition date:	2020-05-07
Last modified:	2020-11-17
Release date:	2020-05-20
Identifier:	N~2~-[(benzyloxy)carbonyl]-N-{(1R,2S)-1-hydroxy-1-[hydroxy(methylidene)oxo-lambda~6~-sulfanyl]-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

L2B

L2B
Name:	3'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:	C9 H13 N2 O8 P
SMILES:	O[CH]1C[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O
InChi:	InChI=1S/C9H13N2O8P/c12-6-3-5(4-18-20(15,16)17)19-8(6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Synonyms:	[(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Definition date:	2019-07-16
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	[(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

OJT

OJT
Name:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid
Formula:	C36 H36 Cl2 N4 O5 S
SMILES:	COc1ccccc1C[CH](Oc2ncnc3sc(c4cccc(Cl)c4)c(c5ccc(OCCN6CCN(C)CC6)c(Cl)c5C)c23)C(O)=O
InChi:	InChI=1S/C36H36Cl2N4O5S/c1-22-26(11-12-28(32(22)38)46-18-17-42-15-13-41(2)14-16-42)30-31-34(47-29(36(43)44)20-23-7-4-5-10-27(23)45-3)39-21-40-35(31)48-33(30)24-8-6-9-25(37)19-24/h4-12,19,21,29H,13-18,20H2,1-3H3,(H,43,44)/t29-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid

OJW

OJW
Name:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid
Formula:	C38 H38 Cl F N6 O6 S
SMILES:	CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(sc4ncnc(O[CH](Cc5ccccc5OCc6ccnn6C)C(O)=O)c34)c7oc(F)cc7)CC1
InChi:	InChI=1S/C38H38ClFN6O6S/c1-23-26(8-9-28(34(23)39)49-19-18-46-16-14-44(2)15-17-46)32-33-36(41-22-42-37(33)53-35(32)29-10-11-31(40)51-29)52-30(38(47)48)20-24-6-4-5-7-27(24)50-21-25-12-13-43-45(25)3/h4-13,22,30H,14-21H2,1-3H3,(H,47,48)/t30-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid

OK2

OK2
Name:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid
Formula:	C40 H38 Cl F N6 O5 S
SMILES:	CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(sc4ncnc(O[CH](Cc5ccccc5OCc6cnccn6)C(O)=O)c34)c7ccc(F)cc7)CC1
InChi:	InChI=1S/C40H38ClFN6O5S/c1-25-30(11-12-32(36(25)41)51-20-19-48-17-15-47(2)16-18-48)34-35-38(45-24-46-39(35)54-37(34)26-7-9-28(42)10-8-26)53-33(40(49)50)21-27-5-3-4-6-31(27)52-23-29-22-43-13-14-44-29/h3-14,22,24,33H,15-21,23H2,1-2H3,(H,49,50)/t33-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid

OK5

OK5
Name:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
Formula:	C47 H44 Cl F N6 O6 S
SMILES:	COc1ccccc1c2nccc(COc3ccccc3C[CH](Oc4ncnc5sc(c6ccc(F)cc6)c(c7ccc(OCCN8CCN(C)CC8)c(Cl)c7C)c45)C(O)=O)n2
InChi:	InChI=1S/C47H44ClFN6O6S/c1-29-34(16-17-38(42(29)48)59-25-24-55-22-20-54(2)21-23-55)40-41-45(51-28-52-46(41)62-43(40)30-12-14-32(49)15-13-30)61-39(47(56)57)26-31-8-4-6-10-36(31)60-27-33-18-19-50-44(53-33)35-9-5-7-11-37(35)58-3/h4-19,28,39H,20-27H2,1-3H3,(H,56,57)/t39-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid

GMX

GMX
Name:	2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one
Formula:	C11 H16 N5 O8 P
SMILES:	OP(OC(C1C(C(C(O1)n2c3c(nc2)C(N=C(N)N3)=O)O)O)C)(=O)O
InChi:	InChI=1S/C11H16N5O8P/c1-3(24-25(20,21)22)7-5(17)6(18)10(23-7)16-2-13-4-8(16)14-11(12)15-9(4)19/h2-3,5-7,10,17-18H,1H3,(H2,20,21,22)(H3,12,14,15,19)/t3-,5+,6-,7-,10-/m1/s1
Definition date:	2020-01-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one

QJY

QJY
Name:	(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
Formula:	C32 H42 F2 N4 O7 S2
SMILES:	C5C(OC(=O)NC(C(CN(CC(C)C)S(c1ccc2c(c1)sc(NC(C)C)n2)(=O)=O)O)Cc3cc(F)cc(c3)F)C4C(OCC4)OC5
InChi:	InChI=1S/C32H42F2N4O7S2/c1-18(2)16-38(47(41,42)23-5-6-25-29(15-23)46-31(36-25)35-19(3)4)17-27(39)26(13-20-11-21(33)14-22(34)12-20)37-32(40)45-28-8-10-44-30-24(28)7-9-43-30/h5-6,11-12,14-15,18-19,24,26-28,30,39H,7-10,13,16-17H2,1-4H3,(H,35,36)(H,37,40)/t24-,26-,27+,28-,30+/m0/s1
Definition date:	2019-11-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate

QK1

QK1
Name:	(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
Formula:	C32 H43 F N4 O7 S2
SMILES:	CC(C)CN(CC(O)C(NC(OC1CCOC2C1CCO2)=O)Cc3ccc(cc3)F)S(c4cc5c(cc4)nc(s5)NC(C)C)(=O)=O
InChi:	InChI=1S/C32H43FN4O7S2/c1-19(2)17-37(46(40,41)23-9-10-25-29(16-23)45-31(35-25)34-20(3)4)18-27(38)26(15-21-5-7-22(33)8-6-21)36-32(39)44-28-12-14-43-30-24(28)11-13-42-30/h5-10,16,19-20,24,26-28,30,38H,11-15,17-18H2,1-4H3,(H,34,35)(H,36,39)/t24-,26-,27+,28-,30+/m0/s1
Definition date:	2019-11-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate

QKQ

QKQ
Name:	~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
Formula:	C22 H21 N5 O2
SMILES:	COc1ccc(cc1)c2cncc3ccc(nc23)C(=O)NCCCn4ccnc4
InChi:	InChI=1S/C22H21N5O2/c1-29-18-6-3-16(4-7-18)19-14-24-13-17-5-8-20(26-21(17)19)22(28)25-9-2-11-27-12-10-23-15-27/h3-8,10,12-15H,2,9,11H2,1H3,(H,25,28)
Definition date:	2020-06-22
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide

QMA

QMA
Name:	2-hydroxy-6-methoxynaphthalene-1-carbaldehyde
Formula:	C12 H10 O3
SMILES:	c1cc(O)c(C=O)c2ccc(cc12)OC
InChi:	InChI=1S/C12H10O3/c1-15-9-3-4-10-8(6-9)2-5-12(14)11(10)7-13/h2-7,14H,1H3
Definition date:	2019-11-19
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	2-hydroxy-6-methoxynaphthalene-1-carbaldehyde

QTE

QTE
Name:	methylcyclohexane
Formula:	C7 H14
SMILES:	CC1CCCCC1
InChi:	InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
Definition date:	2020-08-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	methylcyclohexane

R6W

R6W
Name:	(3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one
Formula:	C40 H40 N6 O4
SMILES:	Oc1ccc2C(=O)N[CH](c2c1)c3c(CNCCCCCCNCc4[nH]c5ccccc5c4[CH]6NC(=O)c7ccc(O)cc67)[nH]c8ccccc38
InChi:	InChI=1S/C40H40N6O4/c47-23-13-15-25-29(19-23)37(45-39(25)49)35-27-9-3-5-11-31(27)43-33(35)21-41-17-7-1-2-8-18-42-22-34-36(28-10-4-6-12-32(28)44-34)38-30-20-24(48)14-16-26(30)40(50)46-38/h3-6,9-16,19-20,37-38,41-44,47-48H,1-2,7-8,17-18,21-22H2,(H,45,49)(H,46,50)/t37-,38-/m0/s1
Definition date:	2020-09-10
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one

R7H

R7H
Name:	(4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
Formula:	C18 H30 N4 O8 S
SMILES:	CCOCCn1cc(CSC[CH](O)[CH](O)[CH]2O[CH](C[CH](O)[CH]2NC(C)=O)C(O)=O)nn1
InChi:	InChI=1S/C18H30N4O8S/c1-3-29-5-4-22-7-11(20-21-22)8-31-9-13(25)16(26)17-15(19-10(2)23)12(24)6-14(30-17)18(27)28/h7,12-17,24-26H,3-6,8-9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,14-,15+,16+,17+/m0/s1
Definition date:	2020-09-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid

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