Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate（CAS号：612547-11-2）

N-[(1s)-1-[[[(5s)-5-[[(4-氨基苯基)磺酰基](2-甲基丙基)氨基]-6-羟基己基]氨基]羰基]-2,2-二苯基乙基]氨基甲酸甲酯

基本信息

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CAS号

612547-11-2

分子式

C33H44N4O6S

分子量

624.8 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醚类

基础化工原料有机化学品胺类

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

基本物理性质

密度

1.217

SMILES

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CC(C)CN(C(CCCCNC(=O)C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OC)CO)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28-,31-/m0/s1

InChIKey

QAHLFXYLXBBCPS-IZEXYCQBSA-N

LogP

4.119600000000002

拓扑极性表面积

151.06 Å²

氢键供体/受体

5 / 10

复杂度

936

同义词与引用数据

英文

N-[(5s)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhex Yl]-nα-(methoxycarbonyl)-β-phenyl-l-phenylalaninamide
HYPERFORIN MIX(P)
(1S,5R,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-en-2,9-dione
(1S,5S)-(1-{5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-carbamic acid methyl ester
Bicyclo[3.3.1]non-3-ene-2,9-dione, 4-hydroxy-6-
4-HYDROXY-6R-METHYL-1R,3,7S-TRIS(3-METHYL-2-BUTENYL)-5S-(2-METHYL-1-OXOPROPYL)-6R-(4-METHYL-3-PENTENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE
methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-
N-[(1S)-1-[[[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]amino]carbonyl]-2,2-diphenylethyl]Carbamic acid methyl ester
PL-100
4-HYDROXY-6R-METHYL-1R,3,7S-TRIS(3-METHYL-2-BUTENYL)-5S-(2-METHYL-1-OXOPROPYL)-6R-(4-METHYL-3-PENT
Methyl ((S)-1-(((S)-5-((4-amino-N-isobutylphenyl)sulfonamido)-6-hydroxyhexyl)amino)-1-oxo-3,3-diphenylpropan-2-yl)carbamate
((1S)-1-{(5S)-5-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-carbamic acid methyl ester
Q27457059
UNII-JRI5GOF0K0
methyl N-[(1S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]carbamoyl]-2,2-diphenyl-ethyl]carbamate
TMB-607
AKOS032946180
PPL-100
Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate
612547-11-2
methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
PL 100
EX-A518
CHEMBL168640
QAHLFXYLXBBCPS-IZEXYCQBSA-N
carbamic acid, [(1S)-1-[[[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]amino]carbonyl]-2,2-diphenylethyl]-, methyl ester
SCHEMBL757685
J-690335
BDBM50482335
PPL 100
MK-8122