Chem
J-GLOBAL ID:200907048642197765   Nikkaji number:J739.213C

4-[[(R)-2-[[3-[(5,6,7,8-Tetrahydronaphthalen)-2-yl]-2-methyl-1-oxo-2-(2-adamantyloxycarbonylamino)propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid

3-{[(1R)-2-(2-{[(アダマンタン-2-イルオキシ)カルボニル]アミノ}-2-[(5,6,7,8-テトラヒドロナフタレン-2-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
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: C37H47N3O6
Molecular formula furigana: C37-H47-N3-O6
Molecular weight: 629.798
InChI: InChI=1S/C37H47N3O6/c1-37(21-23-11-12-26-7-5-6-10-28(26)16-23,40-36(45)46-34-29-17-24-15-25(19-29)20-30(34)18-24)35(44)38-22-31(27-8-3-2-4-9-27)39-32(41)13-14-33(42)43/h2-4,8-9,11-12,16,24-25,29-31,34H,5-7,10,13-15,17-22H2,1H3,(H,38,44)(H,39,41)(H,40,45)(H,42,43)/t24?,25?,29-,30?,31-,34?,37?/m0/s1
InChI key: BJQGZQRFQFDQTF-IFHMVJOKSA-N
SMILES: CC(Cc1ccc2CCCCc2c1)(NC(=O)OC1C2CC3CC(C2)C[C@@H]1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1
Systematic name  (3):
  • 4-[[(R)-2-[[3-[(5,6,7,8-テトラヒドロナフタレン)-2-イル]-2-メチル-1-オキソ-2-(2-アダマンチルオキシカルボニルアミノ)プロピル]アミノ]-1-フェニルエチル]アミノ]-4-オキソブタン酸
  • 3-{[(1R)-2-(2-{[(アダマンタン-2-イルオキシ)カルボニル]アミノ}-2-[(5,6,7,8-テトラヒドロナフタレン-2-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-{[(1R)-2-(2-{[(adamantan-2-yloxy)carbonyl]amino}-2-[(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propanamido)-1-phenylethyl]carbamoyl}propanoic acid
Other name (1):
  • 4-[[(R)-2-[[3-[(5,6,7,8-Tetrahydronaphthalen)-2-yl]-2-methyl-1-oxo-2-(2-adamantyloxycarbonylamino)propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
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