Chem
J-GLOBAL ID:200907033091973281
Nikkaji number:J595.130E
PD-142308
(S)-4-(4-アミノ-3-ヨードフェニル)-3-[[(R)-2-[[(2-アダマンチルオキシ)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]酪酸
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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:
C33 H39 IN4 O5
Molecular formula furigana:
C33-H39-I-N4-O5
Molecular weight:
698.602
InChI:
InChI=1S/C33H39IN4O5/c1-33(16-23-17-36-28-5-3-2-4-25(23)28,38-32(42)43-30-21-9-19-8-20(11-21)12-22(30)10-19)31(41)37-24(15-29(39)40)13-18-6-7-27(35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16,35H2,1H3,(H,37,41)(H,38,42)(H,39,40)/t19?,20?,21-,22?,24-,30?,33+/m0/s1
InChI key:
YMNQSYWYYQDKJU-ZWFKVEKUSA-N
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)C[C@@H]1C3)C(=O)N[C@H](CC(=O)O)Cc1ccc(N)c(I)c1
Systematic name (3):
(S)-4-(4-アミノ-3-ヨードフェニル)-3-[[(R)-2-[[(2-アダマンチルオキシ)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]酪酸
(3S)-3-[(2R)-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]-4-(4-アミノ-3-ヨードフェニル)ブタン酸
(3S)-3-[(2R)-2-{[(adamantan-2-yloxy)carbonyl]amino}-2-[(1H-indol-3-yl)methyl]propanamido]-4-(4-amino-3-iodophenyl)butanoic acid
Other name (2):
PD-142308
(S)-4-(4-Amino-3-iodophenyl)-3-[[(R)-2-[[(2-adamantyloxy)carbonyl]amino]-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butyric acid
CAS registry number:
156671-99-7
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