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8QI

8QI
Name:	({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid
Formula:	C11 H19 N5 O10 P2
SMILES:	O=P(O)(O)COCC(OCC(O)P(=O)(O)O)Cn1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C11H19N5O10P2/c12-11-14-9-8(10(18)15-11)13-4-16(9)1-6(2-25-5-27(19,20)21)26-3-7(17)28(22,23)24/h4,6-7,17H,1-3,5H2,(H2,19,20,21)(H2,22,23,24)(H3,12,14,15,18)/t6-,7-/m0/s1
Definition date:	2021-09-24
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid

I1W

I1W
Name:	(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide
Formula:	C33 H48 N6 O5 S
SMILES:	CC(C)(C)N([2H])C(=O)N([2H])C(C(=O)N1CC2C(C1C(=O)N([2H])C(CC1CCN([2H])C1=O)C(O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C
InChi:	InChI=1S/C33H48N6O5S/c1-31(2,3)25(37-30(44)38-32(4,5)6)29(43)39-16-18-22(33(18,7)8)23(39)27(42)35-20(15-17-13-14-34-26(17)41)24(40)28-36-19-11-9-10-12-21(19)45-28/h9-12,17-18,20,22-25,40H,13-16H2,1-8H3,(H,34,41)(H,35,42)(H2,37,38,44)/t17-,18-,20-,22-,23-,24-,25+/m0/s1/i/hD4
Definition date:	2022-01-06
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide

I1Z

I1Z
Name:	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C26 H44 N6 O4
SMILES:	CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:	InChI=1S/C26H44N6O4/c1-24(2,3)19(30-23(36)31-25(4,5)6)22(35)32-13-16-17(26(16,7)8)18(32)21(34)29-15(12-27)11-14-9-10-28-20(14)33/h12,14-19,27H,9-11,13H2,1-8H3,(H,28,33)(H,29,34)(H2,30,31,36)/b27-12-/t14-,15-,16-,17-,18-,19+/m0/s1
Definition date:	2022-01-06
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

IA4

IA4
Name:	~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine
Formula:	C20 H30 N2
SMILES:	CN(CCC1CCCCCC1)CCc2c[nH]c3ccccc23
InChi:	InChI=1S/C20H30N2/c1-22(14-12-17-8-4-2-3-5-9-17)15-13-18-16-21-20-11-7-6-10-19(18)20/h6-7,10-11,16-17,21H,2-5,8-9,12-15H2,1H3
Definition date:	2021-01-25
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine

80X

80X
Name:	N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide
Formula:	C14 H16 Cl N3 O3
SMILES:	CC(=O)N1CCNC(=O)[CH]1CC(=O)Nc2cccc(Cl)c2
InChi:	InChI=1S/C14H16ClN3O3/c1-9(19)18-6-5-16-14(21)12(18)8-13(20)17-11-4-2-3-10(15)7-11/h2-4,7,12H,5-6,8H2,1H3,(H,16,21)(H,17,20)/t12-/m1/s1
Definition date:	2021-11-09
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	~{N}-(3-chlorophenyl)-2-[(2~{R})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide

83E

83E
Name:	N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide
Formula:	C49 H67 N5 O6
SMILES:	O=C(CCC(CCc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C)N1C(=O)C=C(OC)C1Cc1ccc(cc1)c1ccccc1
InChi:	InChI=1S/C49H67N5O6/c1-32(2)28-40(51-48(58)41(29-33(3)4)52-49(59)46(34(5)6)53(7)8)47(57)50-39(25-22-35-16-12-10-13-17-35)26-27-44(55)54-42(43(60-9)31-45(54)56)30-36-20-23-38(24-21-36)37-18-14-11-15-19-37/h10-21,23-24,31-34,39-42,46H,22,25-30H2,1-9H3,(H,50,57)(H,51,58)(H,52,59)/t39-,40-,41-,42-,46-/m0/s1
Definition date:	2021-09-03
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide

83K

83K
Name:	N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide
Formula:	C45 H64 N6 O6
SMILES:	O=C(CCC(CCc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C)N1C(=O)C=C(OC)C1Cc1c[NH]c2ccccc12
InChi:	InChI=1S/C45H64N6O6/c1-28(2)23-36(48-44(55)37(24-29(3)4)49-45(56)42(30(5)6)50(7)8)43(54)47-33(20-19-31-15-11-10-12-16-31)21-22-40(52)51-38(39(57-9)26-41(51)53)25-32-27-46-35-18-14-13-17-34(32)35/h10-18,26-30,33,36-38,42,46H,19-25H2,1-9H3,(H,47,54)(H,48,55)(H,49,56)/t33-,36-,37-,38-,42-/m0/s1
Definition date:	2021-09-03
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide

83V

83V
Name:	(4S)-4-amino-6-phenylhexanoic acid
Formula:	C12 H17 N O2
SMILES:	O=C(O)CCC(N)CCc1ccccc1
InChi:	InChI=1S/C12H17NO2/c13-11(8-9-12(14)15)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H,14,15)/t11-/m0/s1
Definition date:	2021-09-03
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(4S)-4-amino-6-phenylhexanoic acid

84H

84H
Name:	(5S)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one
Formula:	C18 H17 N O2
SMILES:	O=C1C=C(OC)C(Cc2ccc(cc2)c2ccccc2)N1
InChi:	InChI=1S/C18H17NO2/c1-21-17-12-18(20)19-16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,20)/t16-/m0/s1
Definition date:	2021-09-03
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(5S)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one

84N

84N
Name:	(5S)-5-[(1H-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one
Formula:	C14 H14 N2 O2
SMILES:	O=C1C=C(OC)C(Cc2c[NH]c3ccccc23)N1
InChi:	InChI=1S/C14H14N2O2/c1-18-13-7-14(17)16-12(13)6-9-8-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15H,6H2,1H3,(H,16,17)/t12-/m0/s1
Definition date:	2021-09-03
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(5S)-5-[(1H-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one

8CK

8CK
Name:	N-(4-fluorophenyl)-4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine
Formula:	C22 H23 F N4
SMILES:	C[CH]1N(CCc2ccccc12)c3nc(Nc4ccc(F)cc4)nc(C)c3C
InChi:	InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)/t16-/m1/s1
Synonyms:	R-revaprazan
Definition date:	2021-12-03
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	~{N}-(4-fluorophenyl)-4,5-dimethyl-6-[(1~{R})-1-methyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]pyrimidin-2-amine

9OZ

9OZ
Name:	N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide
Formula:	C26 H29 N3 O2
SMILES:	CC(c1cccc2ccccc21)N1CC2(CC(C2)C(=O)NCc2ccnc(OC)c2)C1
InChi:	InChI=1S/C26H29N3O2/c1-18(22-9-5-7-20-6-3-4-8-23(20)22)29-16-26(17-29)13-21(14-26)25(30)28-15-19-10-11-27-24(12-19)31-2/h3-12,18,21H,13-17H2,1-2H3,(H,28,30)/t18-/m1/s1
Definition date:	2021-10-22
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide

39I

39I
Name:	~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
Formula:	C19 H18 N6 S
SMILES:	C1CC1c2cc([nH]n2)Nc3nc(NCc4ccccc4)nc5ccsc35
InChi:	InChI=1S/C19H18N6S/c1-2-4-12(5-3-1)11-20-19-21-14-8-9-26-17(14)18(23-19)22-16-10-15(24-25-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,20,21,22,23,24,25)
Definition date:	2021-06-24
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine

NB2

NB2
Name:	(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C33 H56 N6 O6 S
SMILES:	CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C
InChi:	InChI=1S/C33H56N6O6S/c1-30(2,3)25(37-29(43)38-33(13-10-9-11-14-33)19-46(44,45)31(4,5)6)28(42)39-18-22-23(32(22,7)8)24(39)27(41)36-21(17-34)16-20-12-15-35-26(20)40/h17,20-25,34H,9-16,18-19H2,1-8H3,(H,35,40)(H,36,41)(H2,37,38,43)/b34-17-/t20-,21-,22-,23-,24-,25+/m0/s1
Definition date:	2022-01-10
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

0V9

0V9
Name:	(19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate
Formula:	C37 H72 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34,38H2,1-2H3,(H,41,42)/b16-14-/t35-/m1/s1
Definition date:	2012-07-05
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate

A87

A87
Name:	3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{H}-indol-6-ol
Formula:	C23 H36 N2 O
SMILES:	CCCCN(CCC1CCCCCC1)CCc2c[nH]c3cc(O)ccc23
InChi:	InChI=1S/C23H36N2O/c1-2-3-14-25(15-12-19-8-6-4-5-7-9-19)16-13-20-18-24-23-17-21(26)10-11-22(20)23/h10-11,17-19,24,26H,2-9,12-16H2,1H3
Definition date:	2021-01-25
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{H}-indol-6-ol

B5J

B5J
Name:	methyltriphenylphosphonium
Formula:	C19 H18 P
SMILES:	C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChi:	InChI=1S/C19H18P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/q+1
Definition date:	2021-11-12
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	methyl(triphenyl)phosphanium

7U8

7U8
Name:	methyl 4-[5,6-bis(chloranyl)-1H-indol-3-yl]-3-(5-chloranyl-1H-indol-3-yl)-1H-pyrrole-2-carboxylate
Formula:	C22 H14 Cl3 N3 O2
SMILES:	COC(=O)c1[nH]cc(c2c[nH]c3cc(Cl)c(Cl)cc23)c1c4c[nH]c5ccc(Cl)cc45
InChi:	InChI=1S/C22H14Cl3N3O2/c1-30-22(29)21-20(14-8-26-18-3-2-10(23)4-11(14)18)15(9-28-21)13-7-27-19-6-17(25)16(24)5-12(13)19/h2-9,26-28H,1H3
Synonyms:	Lynamicin B
Definition date:	2021-10-26
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	methyl 4-[5,6-bis(chloranyl)-1~{H}-indol-3-yl]-3-(5-chloranyl-1~{H}-indol-3-yl)-1~{H}-pyrrole-2-carboxylate

7US

7US
Name:	(3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate
Formula:	C48 H67 N7 O13
SMILES:	[O-][N+](=O)c1cnc(C)n1CCN1CCC2(CC1)NC=1C(=N2)c2c3C(=O)C4(C)Oc3c(C)c(O)c2C(=O)C=1NC(=O)C(C)CCCC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)CCO4
InChi:	InChI=1S/C48H67N7O13/c1-23-12-11-13-24(2)46(62)50-38-37-36(51-48(52-37)15-17-53(18-16-48)19-20-54-29(7)49-22-32(54)55(63)64)33-34(42(38)60)41(59)28(6)44-35(33)45(61)47(9,68-44)66-21-14-31(65-10)25(3)43(67-30(8)56)27(5)40(58)26(4)39(23)57/h22-27,31,39-40,43,52,57-59H,11-21H2,1-10H3,(H,50,62)/t23-,24+,25+,26+,27+,31-,39-,40+,43+,47-/m0/s1
Definition date:	2021-08-20
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate

F2D

F2D
Name:	3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one
Formula:	C19 H25 N O
SMILES:	O=C1c2ccccc2NC(CC=CCCCCCC)=C1C
InChi:	InChI=1S/C19H25NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h8-12,14H,3-7,13H2,1-2H3,(H,20,21)/b9-8+
Definition date:	2021-12-14
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one

9ID

9ID
Name:	6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
Formula:	C22 H23 N7 O2
SMILES:	Cn1cc(Nc2ncc(nc2C(N)=O)C2=CCCC(NC(=O)c3ccccc3)C2)cn1
InChi:	InChI=1S/C22H23N7O2/c1-29-13-17(11-25-29)26-21-19(20(23)30)28-18(12-24-21)15-8-5-9-16(10-15)27-22(31)14-6-3-2-4-7-14/h2-4,6-8,11-13,16H,5,9-10H2,1H3,(H2,23,30)(H,24,26)(H,27,31)/t16-/m1/s1
Definition date:	2021-10-15
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide

TN8

TN8
Name:	~{N}'-(4-iodophenyl)-~{N}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid
Formula:	C15 H16 I N3 O2 S Se
SMILES:	N[S](=O)(=O)c1ccc(CCNC([SeH])=Nc2ccc(I)cc2)cc1
InChi:	InChI=1S/C15H16IN3O2SSe/c16-12-3-5-13(6-4-12)19-15(23)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,23)
Definition date:	2021-01-12
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	~{N}'-(4-iodophenyl)-~{N}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid

TQH

TQH
Name:	~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine
Formula:	C12 H12 N4 O S
SMILES:	Cc1oc(CNc2[nH]c(nn2)c3sccc3)cc1
InChi:	InChI=1S/C12H12N4OS/c1-8-4-5-9(17-8)7-13-12-14-11(15-16-12)10-3-2-6-18-10/h2-6H,7H2,1H3,(H2,13,14,15,16)
Definition date:	2021-01-12
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine

TVQ

TVQ
Name:	1-isothiocyanato-3-methylsulfinyl-propane
Formula:	C5 H9 N O S2
SMILES:	C[S](=O)CCCN=C=S
InChi:	InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3/t9-/m1/s1
Synonyms:	iberin
Definition date:	2021-01-14
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	1-isothiocyanato-3-methylsulfinyl-propane

TZ8

TZ8
Name:	(2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Formula:	C17 H30 N4 O6 S2
SMILES:	CCCCCCNC(=S)SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O
InChi:	InChI=1S/C17H30N4O6S2/c1-2-3-4-5-8-19-17(28)29-10-12(15(25)20-9-14(23)24)21-13(22)7-6-11(18)16(26)27/h11-12H,2-10,18H2,1H3,(H,19,28)(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t11-,12+/m1/s1
Definition date:	2021-01-14
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

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