Chem
J-GLOBAL ID:200907025874742301   Nikkaji number:J2.381.329G

(2S)-1-[N2-[3-(2-Naphthylthio)propionyl-]-Lys-Val-Gly-Thr-]-2-[(cyclohexylcarbamoyloxy)methyl]pyrrolidine

(2S)-1-[N2-[3-(2-ナフチルチオ)プロピオニル-]-Lys-Val-Gly-Thr-]-2-[(シクロヘキシルカルバモイルオキシ)メチル]ピロリジン
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: C42H63N7O8S
Molecular formula furigana: C42-H63-N7-O8-S
Molecular weight: 826.070
InChI: InChI=1S/C42H63N7O8S/c1-27(2)37(48-39(53)34(17-9-10-21-43)46-35(51)20-23-58-33-19-18-29-12-7-8-13-30(29)24-33)40(54)44-25-36(52)47-38(28(3)50)41(55)49-22-11-16-32(49)26-57-42(56)45-31-14-5-4-6-15-31/h7-8,12-13,18-19,24,27-28,31-32,34,37-38,50H,4-6,9-11,14-17,20-23,25-26,43H2,1-3H3,(H,44,54)(H,45,56)(H,46,51)(H,47,52)(H,48,53)/t28-,32+,34+,37+,38+/m1/s1
InChI key: UGZGSRZNCYTEKF-HJXIEPMOSA-N
SMILES: CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CCSc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1
Systematic name  (3):
  • (2S)-1-[N2-[3-(2-ナフチルチオ)プロピオニル-]-Lys-Val-Gly-Thr-]-2-[(シクロヘキシルカルバモイルオキシ)メチル]ピロリジン
  • [(2S)-1-[(2S,3R)-2-{2-[(2S)-2-[(2S)-6-アミノ-2-[3-(ナフタレン-2-イルスルファニル)プロパンアミド]ヘキサンアミド]-3-メチルブタンアミド]アセトアミド}-3-ヒドロキシブタノイル]ピロリジン-2-イル]メチル N-シクロヘキシルカルバマート
  • [(2S)-1-[(2S,3R)-2-{2-[(2S)-2-[(2S)-6-amino-2-[3-(naphthalen-2-ylsulfanyl)propanamido]hexanamido]-3-methylbutanamido]acetamido}-3-hydroxybutanoyl]pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
Other name (1):
  • (2S)-1-[N2-[3-(2-Naphthylthio)propionyl-]-Lys-Val-Gly-Thr-]-2-[(cyclohexylcarbamoyloxy)methyl]pyrrolidine
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