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S8T

S8T
Name:	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine
Formula:	C17 H17 F S
SMILES:	CC(C)c1ccc2Sc3cc(F)ccc3CCc2c1
InChi:	InChI=1S/C17H17FS/c1-11(2)13-6-8-16-14(9-13)4-3-12-5-7-15(18)10-17(12)19-16/h5-11H,3-4H2,1-2H3
Synonyms:	Isofloxythepin
Definition date:	2020-11-11
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine

0RJ

0RJ
Name:	3-(formylamino)-L-alanine
Formula:	C4 H8 N2 O3
SMILES:	O=CNCC(N)C(=O)O
InChi:	InChI=1S/C4H8N2O3/c5-3(4(8)9)1-6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
Definition date:	2012-08-23
Last modified:	2024-09-27
Release date:	2014-07-30
Identifier:	3-(formylamino)-L-alanine

S99

S99
Name:	7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
Formula:	C21 H24 N2 O3
SMILES:	n3c(c1nc(oc1)C(O)(O)CCCCCCc2ccccc2)cccc3
InChi:	InChI=1S/C21H24N2O3/c24-21(25,14-8-2-1-4-10-17-11-5-3-6-12-17)20-23-19(16-26-20)18-13-7-9-15-22-18/h3,5-7,9,11-13,15-16,24-25H,1-2,4,8,10,14H2
Definition date:	2009-05-19
Last modified:	2024-09-27
Identifier:	7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol

S9E

S9E
Name:	6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde
Formula:	C9 H6 Br N3 O
SMILES:	Brc1nccn1c2ccc(C=O)cn2
InChi:	InChI=1S/C9H6BrN3O/c10-9-11-3-4-13(9)8-2-1-7(6-14)5-12-8/h1-6H
Definition date:	2020-11-12
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde

0S1

0S1
Name:	N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form
Formula:	C14 H19 N O3 S
SMILES:	O=S(=O)(NC1C(CC=C)CC1O)c2ccc(cc2)C
InChi:	InChI=1S/C14H19NO3S/c1-3-4-11-9-13(16)14(11)15-19(17,18)12-7-5-10(2)6-8-12/h3,5-8,11,13-16H,1,4,9H2,2H3/t11-,13-,14+/m0/s1
Definition date:	2012-05-14
Last modified:	2024-09-27
Release date:	2012-08-24
Identifier:	N-[(1R,2S,4S)-2-hydroxy-4-(prop-2-en-1-yl)cyclobutyl]-4-methylbenzenesulfonamide

S9U

S9U
Name:	[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C25 H44 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C25H43N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h15-21,24,31H,3-14H2,1-2H3,(H4-,26,27,28,29,30,32,33,34,35)/p+1/t17-,18+,19-,20-,21-,24-/m0/s1
Definition date:	2022-06-29
Last modified:	2024-09-27
Release date:	2022-07-06
Identifier:	[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

S9W

S9W
Name:	~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
Formula:	C25 H30 Br N3 O3
SMILES:	Brc1ccc(CN2CCN(CC2)Cc3cccc(NC(=O)C4(CCOCC4)C=O)c3)cc1
InChi:	InChI=1S/C25H30BrN3O3/c26-22-6-4-20(5-7-22)17-28-10-12-29(13-11-28)18-21-2-1-3-23(16-21)27-24(31)25(19-30)8-14-32-15-9-25/h1-7,16,19H,8-15,17-18H2,(H,27,31)
Definition date:	2020-11-13
Last modified:	2024-09-27
Release date:	2021-06-30
Identifier:	~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide

S9X

S9X
Name:	2-azanyl-2-butyl-hexanal
Formula:	C10 H21 N O2
SMILES:	CCCCC(N)(CCCC)C(O)=O
InChi:	InChI=1S/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13)
Definition date:	2022-12-15
Last modified:	2024-09-27
Release date:	2023-10-11
Identifier:	2-azanyl-2-butyl-hexanoic acid

S9Z

S9Z
Name:	~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
Formula:	C25 H30 Br N3 O3
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3
InChi:	InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)
Definition date:	2020-11-13
Last modified:	2024-09-27
Release date:	2021-06-30
Identifier:	~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide

SA1

SA1
Name:	(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE
Formula:	C15 H21 N O4
SMILES:	O=C1NC(C=O)(C2(OCCC12)C)C(O)C3C=CCCC3
InChi:	InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1
Synonyms:	Salinosporamide A, bound form
Definition date:	2005-12-29
Last modified:	2024-09-27
Identifier:	(3aR,6R,6aS)-6-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-6a-methyl-4-oxohexahydro-2H-furo[2,3-c]pyrrole-6-carbaldehyde

SA2

SA2
Name:	(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE
Formula:	C13 H19 N O9 S
SMILES:	O=C(OCC(S(=O)O)(C(C(=O)O)NC=CC=O)C)CCCC(=O)O
InChi:	InChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1
Synonyms:	4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID
Definition date:	2006-06-09
Last modified:	2024-09-27
Identifier:	(3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine

SA6

SA6
Name:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
Formula:	C15 H23 N O4
SMILES:	O=CC1(NC(=O)C(C1(O)C)CC)C(O)C2C=CCCC2
InChi:	InChI=1S/C15H23NO4/c1-3-11-13(19)16-15(9-17,14(11,2)20)12(18)10-7-5-4-6-8-10/h5,7,9-12,18,20H,3-4,6,8H2,1-2H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1
Definition date:	2010-04-20
Last modified:	2024-09-27
Identifier:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde

0SK

0SK
Name:	8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
Formula:	C17 H18 F3 N3 O4 S
SMILES:	FC(F)(F)c2cc(c1SC(=NC(=O)c1c2)N4CCC3(OCC(O3)C)CC4)NO
InChi:	InChI=1S/C17H18F3N3O4S/c1-9-8-26-16(27-9)2-4-23(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(22-25)13(11)28-15/h6-7,9,22,25H,2-5,8H2,1H3/t9-/m0/s1
Definition date:	2012-05-23
Last modified:	2024-09-27
Release date:	2012-08-31
Identifier:	8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

SAC

SAC
Name:	N-ACETYL-SERINE
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(NC(=O)C)CO
InChi:	InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-L-serine

SAL

SAL
Name:	2-HYDROXYBENZOIC ACID
Formula:	C7 H6 O3
SMILES:	O=C(O)c1ccccc1O
InChi:	InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
Synonyms:	SALICYLIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-hydroxybenzoic acid

SAR

SAR
Name:	SARCOSINE
Formula:	C3 H7 N O2
SMILES:	O=C(O)CNC
InChi:	InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-methylglycine

0T4

0T4
Name:	3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide
Formula:	C16 H15 F3 N2 O2
SMILES:	FC(F)(F)c1cc(cc(NO)c1)C(=O)NC(c2ccccc2)C
InChi:	InChI=1S/C16H15F3N2O2/c1-10(11-5-3-2-4-6-11)20-15(22)12-7-13(16(17,18)19)9-14(8-12)21-23/h2-10,21,23H,1H3,(H,20,22)/t10-/m1/s1
Definition date:	2012-05-30
Last modified:	2024-09-27
Identifier:	3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide

0TD

0TD
Name:	(3S)-3-(methylsulfanyl)-L-aspartic acid
Formula:	C5 H9 N O4 S
SMILES:	O=C(O)C(N)C(SC)C(=O)O
InChi:	InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1
Definition date:	2012-02-22
Last modified:	2024-09-27
Release date:	2012-11-09
Identifier:	(3S)-3-(methylsulfanyl)-L-aspartic acid

0TI

0TI
Name:	(3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:	C8 H6 F N O2
SMILES:	c2cc1NC(=O)C(O)c1cc2F
InChi:	InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m1/s1
Definition date:	2016-03-16
Last modified:	2024-09-27
Release date:	2016-05-25
Identifier:	(3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one

0TJ

0TJ
Name:	N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide
Formula:	C15 H15 Br4 N3 O3
SMILES:	O=CCCCCCNC(=O)Cn1c2c(Br)c(Br)c(Br)c(Br)c2nc1
InChi:	InChI=1S/C15H15Br4N3O3/c16-10-11(17)13(19)15-14(12(10)18)21-7-22(15)6-8(23)20-5-3-1-2-4-9(24)25/h7H,1-6H2,(H,20,23)(H,24,25)
Definition date:	2012-06-06
Last modified:	2024-09-27
Release date:	2012-10-12
Identifier:	N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide

SBD

SBD
Name:	D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE
Formula:	C17 H22 B N2 O6
SMILES:	O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12
InChi:	InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1S)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

SBE

SBE
Name:	1,3,2-DIOXABOROLAN-2-OL
Formula:	C2 H5 B O3
SMILES:	OB1OCCO1
InChi:	InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2
Definition date:	2004-02-02
Last modified:	2024-09-27
Identifier:	1,3,2-dioxaborolan-2-ol

SBG

SBG
Name:	O-[(S)-HYDROXY(METHYL)PHOSPHORYL]-L-SERINE
Formula:	C4 H10 N O5 P
SMILES:	O=P(OCC(C(=O)O)N)(O)C
InChi:	InChI=1S/C4H10NO5P/c1-11(8,9)10-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
Definition date:	2007-02-13
Last modified:	2024-09-27
Identifier:	O-[(S)-hydroxy(methyl)phosphoryl]-L-serine

SBL

SBL
Name:	L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE
Formula:	C17 H22 B N2 O6
SMILES:	O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12
InChi:	InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

SBP

SBP
Name:	[3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE
Formula:	C6 H15 B N3 O3
SMILES:	O(B1OCCO1)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H14BN3O3/c8-6(9)10-2-1-3-11-7-12-4-5-13-7/h1-5H2,(H4,8,9,10)/p+1
Definition date:	2004-01-26
Last modified:	2024-09-27
Identifier:	amino{[3-(1,3,2-dioxaborolan-2-yloxy)propyl]amino}methaniminium

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