Chem
J-GLOBAL ID:200907048578880308   Nikkaji number:J322.233K

N-[(S)-1-Ethoxycarbonyl-3-phenylpropyl]-L-Ala-N6-(3-aminosulfonyl-4-chlorobenzoyl)-N2-[(2,3-dihydro-1H-inden)-2-yl]-L-Lys-OH

N-[(S)-1-エトキシカルボニル-3-フェニルプロピル]-L-Ala-N6-(3-アミノスルホニル-4-クロロベンゾイル)-N2-[(2,3-ジヒドロ-1H-インデン)-2-イル]-L-Lys-OH
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: C37H45ClN4O8S
Molecular formula furigana: C37-H45-CL-N4-O8-S
Molecular weight: 741.300
InChI: InChI=1S/C37H45ClN4O8S/c1-3-50-37(47)31(19-16-25-11-5-4-6-12-25)41-24(2)35(44)42(29-21-26-13-7-8-14-27(26)22-29)32(36(45)46)15-9-10-20-40-34(43)28-17-18-30(38)33(23-28)51(39,48)49/h4-8,11-14,17-18,23-24,29,31-32,41H,3,9-10,15-16,19-22H2,1-2H3,(H,40,43)(H,45,46)(H2,39,48,49)/t24-,31-,32-/m0/s1
InChI key: YRMABNAQMZNLEM-WGFGNGDISA-N
SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N([C@@H](CCCCNC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N)C(=O)O)C1Cc2ccccc2C1
Systematic name  (3):
  • N-[(S)-1-エトキシカルボニル-3-フェニルプロピル]-L-Ala-N6-(3-アミノスルホニル-4-クロロベンゾイル)-N2-[(2,3-ジヒドロ-1H-インデン)-2-イル]-L-Lys-OH
  • (2S)-6-[(4-クロロ-3-スルファモイルフェニル)ホルムアミド]-2-[(2S)-N-(2,3-ジヒドロ-1H-インデン-2-イル)-2-{[(2S)-1-エトキシ-1-オキソ-4-フェニルブタン-2-イル]アミノ}プロパンアミド]ヘキサン酸
  • (2S)-6-[(4-chloro-3-sulfamoylphenyl)formamido]-2-[(2S)-N-(2,3-dihydro-1H-inden-2-yl)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanamido]hexanoic acid
Other name (1):
  • N-[(S)-1-Ethoxycarbonyl-3-phenylpropyl]-L-Ala-N6-(3-aminosulfonyl-4-chlorobenzoyl)-N2-[(2,3-dihydro-1H-inden)-2-yl]-L-Lys-OH
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