Chem
J-GLOBAL ID:200907002991385668
Nikkaji number:J423.588F
CP-80794
CP-80794
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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:
C31 H48 N4 O7 S
Molecular formula furigana:
C31-H48-N4-O7-S
Molecular weight:
620.810
InChI:
InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1
InChI key:
UZQBKCWYZBHBOW-YIPNQBBMSA-N
SMILES:
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
Systematic name (3):
(2R,3S)-4-シクロヘキシル-2-ヒドロキシ-3-[(R)-3-メチルチオ-2-[(S)-2-(4-モルホリニルカルボニルアミノ)-3-フェニルプロパノイルアミノ]プロパノイルアミノ]酪酸イソプロピル
プロパン-2-イル (2R,3S)-4-シクロヘキシル-2-ヒドロキシ-3-[(2R)-3-(メチルスルファニル)-2-[(2S)-2-[(モルホリン-4-カルボニル)アミノ]-3-フェニルプロパンアミド]プロパンアミド]ブタノアート
propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[(2R)-3-(methylsulfanyl)-2-[(2S)-2-[(morpholine-4-carbonyl)amino]-3-phenylpropanamido]propanamido]butanoate
Other name (4):
CP-80794
(2R,3S)-4-Cyclohexyl-2-hydroxy-3-[(R)-3-methylthio-2-[(S)-2-(4-morpholinylcarbonylamino)-3-phenylpropanoylamino]propanoylamino]butyric acid isopropyl ester
テルラキレン
Terlakiren
CAS registry number:
119625-78-4
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