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HXT

HXT
Name:	2-hydroxy-1-phenylethanone
Formula:	C8 H8 O2
SMILES:	O=C(c1ccccc1)CO
InChi:	InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
Synonyms:	2-Hydroxyacetophenone
Definition date:	2013-12-26
Last modified:	2021-03-01
Release date:	2014-07-16
Identifier:	2-hydroxy-1-phenylethanone

Z23

Z23
Name:	DI[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE
Formula:	C20 H19 F2 N5 O2
SMILES:	Fc3c(Oc1cc(C(=[NH2+])N)ccc1)nc(Oc2cccc(C(=[NH2+])N)c2)c(F)c3C
InChi:	InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+2
Synonyms:	ZK-805623
Definition date:	1999-08-30
Last modified:	2021-03-01
Identifier:	[(3,5-difluoro-4-methylpyridine-2,6-diyl)bis(oxybenzene-3,1-diyl)]bis(aminomethaniminium)

BLG

BLG
Name:	4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE
Formula:	C16 H30 N3 O14 S2
SMILES:	O=S(=O)(O)CCNC(=O)C2CC(OC1OC(C(OS(=O)(=O)O)C(O)C1NC(=O)C)CO)C(CO)[NH2+]2
InChi:	InChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/p+1/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1
Synonyms:	BULGECIN A
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(2R,3S,5S)-2-(hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]pyrrolidinium-3-yl 2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-glucopyranoside

BLO

BLO
Name:	1-(4-{[(3R)-3-AMINO-5-{[(Z)-AMINO(IMINO)METHYL](METHYL)AMINO}PENTANOYL]AMINO}-2,3,4-TRIDEOXY-D-ERYTHRO-HEX-2-ENOPYRANURONOSYL)-4-HYDROXYPYRIMIDIN-2(1H)-ONE
Formula:	C17 H25 N7 O6
SMILES:	O=C1N=C(O)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C
InChi:	InChI=1S/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/t9-,10-,13+,14-/m0/s1
Synonyms:	DEAMINOHYDROXY BLASTICIDIN-S
Definition date:	2006-05-10
Last modified:	2021-03-01
Identifier:	1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]-4-hydroxypyrimidin-2(1H)-one

HYF

HYF
Name:	4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE
Formula:	C35 H52 O4
SMILES:	O=C1C2(C(O)=C(C(=O)C1(CC(CC=C(/C)C)C2(C)CCC=C(/C)C)CC=C(/C)C)CC=C(/C)C)C(=O)C(C)C
InChi:	InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33-,34-,35+/m1/s1
Synonyms:	HYPERFORIN
Definition date:	2002-06-25
Last modified:	2021-03-01
Identifier:	(1R,5S,6R,7R)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

X2W

X2W
Name:	N-ACETYL-L-GLUTAMYL 5-PHOSPHATE
Formula:	C7 H12 N O8 P
SMILES:	O=C(OP(=O)(O)O)CCC(C(=O)O)NC(=O)C
InChi:	InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1
Synonyms:	N-ACETYL-5-OXO-5-(PHOSPHONOOXY)-L-NORVALINE
Definition date:	2010-01-18
Last modified:	2021-03-01
Identifier:	N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline

W71

W71
Name:	5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE
Formula:	C20 H26 N2 O3
SMILES:	N1=C(OCC1)c3ccc(OCCCCCCCc2onc(c2)C)cc3
InChi:	InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3
Synonyms:	COMPOUND IV
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	5-{7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl}-3-methylisoxazole

BM5

BM5
Name:	(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER
Formula:	C18 H15 N O3 S
SMILES:	O=C2c1c(cccc1)C3(SCC(N23)C(=O)OC)c4ccccc4
InChi:	InChI=1S/C18H15NO3S/c1-22-17(21)15-11-23-18(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16(20)19(15)18/h2-10,15H,11H2,1H3/t15-,18+/m0/s1
Synonyms:	BM +50.0934
Definition date:	1999-07-20
Last modified:	2021-03-01
Identifier:	methyl (3R,9bR)-5-oxo-9b-phenyl-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate

BMR

BMR
Name:	((2R,3S,5R)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate
Formula:	C16 H21 O13 P3
SMILES:	COc1cc2ccccc2cc1[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
InChi:	InChI=1S/C16H21O13P3/c1-25-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(27-15)9-26-31(21,22)29-32(23,24)28-30(18,19)20/h2-7,13,15-17H,8-9H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/p-4/t13-,15+,16+/m0/s1
Synonyms:	dNaM-Triphosphate
Definition date:	2013-10-02
Last modified:	2021-03-01
Release date:	2013-12-11
Identifier:	[[(2R,3S,5R)-5-(3-methoxynaphthalen-2-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

BMV

BMV
Name:	3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE
Formula:	C25 H23 N5 O2 S2
SMILES:	O=S(=O)(N3C(Cc1ccccc1)CN(c2ccc(C#N)cc2C3)Cc4ncnc4)c5sccc5
InChi:	InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1
Synonyms:	BMS-214662
Definition date:	2004-02-18
Last modified:	2021-03-01
Identifier:	(3R)-3-benzyl-1-(1H-imidazol-4-ylmethyl)-4-(thiophen-2-ylsulfonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile

BN1

BN1
Name:	(S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID
Formula:	C8 H10 N6 O4
SMILES:	O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)C
InChi:	InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)
Synonyms:	2-ME-TET-AMPA
Definition date:	2002-07-11
Last modified:	2021-03-01
Identifier:	3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5-yl)isoxazol-4-yl]alanine

BNI

BNI
Name:	5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE
Formula:	C16 H20 N4 O4 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)Nc3ccc([N+]([O-])=O)cc3
InChi:	InChI=1S/C16H20N4O4S/c21-14(17-10-5-7-11(8-6-10)20(23)24)4-2-1-3-13-15-12(9-25-13)18-16(22)19-15/h5-8,12-13,15H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1
Synonyms:	BIOTINYL P-NITROANILINE
Definition date:	2001-03-23
Last modified:	2021-03-01
Identifier:	N-(4-nitrophenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

W8R

W8R
Name:	5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE
Formula:	C21 H28 N2 O3
SMILES:	N1=C(OCC1C)c3ccc(OCCCCCCCc2onc(c2)C)cc3
InChi:	InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m1/s1
Synonyms:	COMPOUND I(R)
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	3-methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)isoxazole

BNR

BNR
Name:	BIS-DAUNORUBICIN
Formula:	C62 H66 N2 O20
SMILES:	O=C2c1c(O)c%11c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC%11OC4OC(C)C(C(O)C4)[NH2+]Cc5ccc(cc5)C[NH2+]C%10C(OC(OC9c8c(O)c7C(=O)c6c(OC)cccc6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)CC%10O)C
InChi:	InChI=1S/C62H64N2O20/c1-25-51(35(67)17-41(81-25)83-39-21-61(77,27(3)65)19-33-45(39)59(75)49-47(55(33)71)53(69)31-9-7-11-37(79-5)43(31)57(49)73)63-23-29-13-15-30(16-14-29)24-64-52-26(2)82-42(18-36(52)68)84-40-22-62(78,28(4)66)20-34-46(40)60(76)50-48(56(34)72)54(70)32-10-8-12-38(80-6)44(32)58(50)74/h7-16,25-26,35-36,39-42,51-52,63-64,67-68,71-72,75-78H,17-24H2,1-6H3/p+2/t25-,26-,35-,36-,39-,40-,41-,42-,51+,52+,61-,62-/m0/s1
Synonyms:	WP652
Definition date:	2001-11-30
Last modified:	2021-03-01
Identifier:	(2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-(benzene-1,4-diyldimethanediyl)bis(6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-4-hydroxy-2-methyltetrahydro-2H-pyran-3-aminium) (non-preferred name)

IFS

IFS
Name:	bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate
Formula:	C13 H21 O3 P S
SMILES:	O=P(OC(C)C)(OC(C)C)c1ccccc1CS
InChi:	InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3
Synonyms:	Diisopropyl 2-(sulfanylmethyl)phenylphosphonate
Definition date:	2009-08-18
Last modified:	2021-03-01
Identifier:	dipropan-2-yl [2-(sulfanylmethyl)phenyl]phosphonate

1SQ

1SQ
Name:	ISOQUINOLIN-1-AMINE
Formula:	C9 H8 N2
SMILES:	n1c(c2c(cc1)cccc2)N
InChi:	InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
Synonyms:	1-AMINO-ISOQUINOLINE
Definition date:	2007-01-12
Last modified:	2021-03-01
Identifier:	isoquinolin-1-amine

IGA

IGA
Name:	6-amino-3,7-dihydro-2H-purin-2-one
Formula:	C5 H5 N5 O
SMILES:	O=C2N=C(c1c(ncn1)N2)N
InChi:	InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)
Synonyms:	Isoguanine
Definition date:	2011-04-28
Last modified:	2021-03-01
Identifier:	6-amino-3,7-dihydro-2H-purin-2-one

1SZ

1SZ
Name:	N-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide
Formula:	C58 H71 N21 O10
SMILES:	O=C(NCCCN(C)C)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cc(cn4C)NC(=O)CCCNC(=O)c5cc(cn5C)NC(=O)c8nc(NC(=O)c7cc(NC(=O)c6nccn6C)cn7C)cn8C
InChi:	InChI=1S/C58H71N21O10/c1-71(2)19-12-16-59-47(80)14-17-62-52(83)41-22-35(28-73(41)4)64-54(85)43-25-37(30-76(43)7)66-55(86)44-24-36(29-77(44)8)65-53(84)42-21-34(27-75(42)6)63-48(81)13-11-15-61-51(82)40-23-38(31-74(40)5)68-58(89)50-69-46(33-79(50)10)70-56(87)45-26-39(32-78(45)9)67-57(88)49-60-18-20-72(49)3/h18,20-33H,11-17,19H2,1-10H3,(H,59,80)(H,61,82)(H,62,83)(H,63,81)(H,64,85)(H,65,84)(H,66,86)(H,67,88)(H,68,89)(H,70,87)
Synonyms:	PYRROLE-IMIDAZOLE POLYAMIDE
Definition date:	2013-07-08
Last modified:	2021-03-01
Release date:	2013-07-17
Identifier:	N-(5-{[4-({5-[(5-{[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}amino)-4-oxobutyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-imidazole-2-carboxamide

IGN

IGN
Name:	{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
Formula:	C21 H38 N6 O4
SMILES:	O=C(N1C(C(=O)NCCCNC(=[N@H])N)CCCC1)C(NCC(=O)O)CC2CCCCC2
InChi:	InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1
Synonyms:	INOGATRAN (ASTRA-ZENECA)
Definition date:	2001-10-23
Last modified:	2021-03-01
Identifier:	N-[(1R)-2-{(2S)-2-[(3-carbamimidamidopropyl)carbamoyl]piperidin-1-yl}-1-(cyclohexylmethyl)-2-oxoethyl]glycine

1TB

1TB
Name:	METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE
Formula:	C15 H17 N5 O6 S
SMILES:	O=C(OC)c1ccccc1S(=O)(=O)NC(=O)N(c2nc(nc(OC)n2)C)C
InChi:	InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
Synonyms:	TRIBENURON METHYL
Definition date:	2004-07-01
Last modified:	2021-03-01
Identifier:	methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate

BPI

BPI
Name:	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL
Formula:	C18 H16 O3
SMILES:	OC4c3c(c1c(ccc2c1cccc2)cc3)CC(O)C4O
InChi:	InChI=1S/C18H16O3/c19-15-9-14-13(17(20)18(15)21)8-7-11-6-5-10-3-1-2-4-12(10)16(11)14/h1-8,15,17-21H,9H2/t15-,17-,18-/m1/s1
Synonyms:	1S-TRANS-ANTI-BENZO[C]PHENANTHRENE
Definition date:	2001-01-25
Last modified:	2021-03-01
Identifier:	(2R,3R,4R)-1,2,3,4-tetrahydrobenzo[c]phenanthrene-2,3,4-triol

BPM

BPM
Name:	4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN
Formula:	C13 H14 O8 P2
SMILES:	O=P(O)(O)Oc1ccc(cc1)Cc2ccc(OP(=O)(O)O)cc2
InChi:	InChI=1S/C13H14O8P2/c14-22(15,16)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-23(17,18)19/h1-8H,9H2,(H2,14,15,16)(H2,17,18,19)
Synonyms:	bis-(para-phosphophenyl)
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	methanediyldibenzene-4,1-diyl bis[dihydrogen (phosphate)]

IHU

IHU
Name:	N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA
Formula:	C15 H12 Cl F N2 O4
SMILES:	O=C(c1ccc(F)cc1Cl)NC(=O)Nc2cc(O)ccc2OC
InChi:	InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)
Synonyms:	1-(2-CHLORO-4-FLUORO-BENZOYL)-3-(5-HYDROXY-2-METHOXY-PHENYL)-UREA
Definition date:	2005-08-29
Last modified:	2021-03-01
Identifier:	2-chloro-4-fluoro-N-[(5-hydroxy-2-methoxyphenyl)carbamoyl]benzamide

BQ4

BQ4
Name:	(2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid
Formula:	C10 H8 O5
SMILES:	c1ccc(O)cc1C([C@H]=C(C(O)=O)O)=O
InChi:	InChI=1S/C10H8O5/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-5,11,13H,(H,14,15)/b9-5-
Synonyms:	3-hydroxy-phenyldiketoacid
Definition date:	2017-08-21
Last modified:	2021-03-01
Release date:	2018-08-22
Identifier:	(2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid

1UN

1UN
Name:	2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
Formula:	C32 H45 N3 O4 S
SMILES:	O=C(c1cccc(O)c1C)NC(CSc2ccccc2)C(O)CN4C(C(=O)NC(C)(C)C)CC3CCCCC3C4
InChi:	InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
Synonyms:	NELFINAVIR MESYLATE AG1343
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-{[(3-hydroxy-2-methylphenyl)carbonyl]amino}-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide

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