Chem
J-GLOBAL ID:200907025701444968
Nikkaji number:J360.241I
CAM-1241
4-[(S)-2-[(S)-2-(アダマンタン-2-イルオキシカルボニルアミノ)-3-(1H-インドール-3-イル)-2-メチルプロパノイルアミノ]-1-フェニルエチルアミノ]-4-オキソ酪酸
Download MOL file
Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C35 H42 N4 O6
Molecular formula furigana:
C35-H42-N4-O6
Molecular weight:
614.743
InChI:
InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24-,25?,29-,32?,35+/m1/s1
InChI key:
FVQSSYMRZKLFDR-OFCYLCCDSA-N
SMILES:
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)C[C@@H]1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1
Systematic name (3):
4-[(S)-2-[(S)-2-(アダマンタン-2-イルオキシカルボニルアミノ)-3-(1H-インドール-3-イル)-2-メチルプロパノイルアミノ]-1-フェニルエチルアミノ]-4-オキソ酪酸
3-{[(1S)-2-[(2S)-2-{[(アダマンタン-2-イルオキシ)カルボニル]アミノ}-2-[(1H-インドール-3-イル)メチル]プロパンアミド]-1-フェニルエチル]カルバモイル}プロパン酸
3-{[(1S)-2-[(2S)-2-{[(adamantan-2-yloxy)carbonyl]amino}-2-[(1H-indol-3-yl)methyl]propanamido]-1-phenylethyl]carbamoyl}propanoic acid
Other name (3):
4-[(S)-2-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoylamino]-1-phenylethylamino]-4-oxobutyric acid
CAM-1241
PD-137337
CAS registry number:
130406-71-2
Thsaurus map:
Return to Previous Page