Chem
J-GLOBAL ID：200907051829522563   Nikkaji number：J2.128.188C

(3S)-3-[(tert-Butyloxycarbonyl)amino]-5-[1-methyl-2,3,3-tris(tert-butyloxycarbonyl)guanidino]pentanoic acid

(3S)-3-[(tert-ブチルオキシカルボニル)アミノ]-5-[1-メチル-2,3,3-トリス(tert-ブチルオキシカルボニル)グアニジノ]ペンタン酸
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： C27H48N4O10
Molecular formula furigana： C27-H48-N4-O10
Molecular weight： 588.699
InChI： InChI=1S/C27H48N4O10/c1-24(2,3)38-20(34)28-17(16-18(32)33)14-15-30(13)19(29-21(35)39-25(4,5)6)31(22(36)40-26(7,8)9)23(37)41-27(10,11)12/h17H,14-16H2,1-13H3,(H,28,34)(H,32,33)/t17-/m0/s1
InChI key： MNXXXXNMIGDFQC-KRWDZBQOSA-N
SMILES： CN(CC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Systematic name  (3)：
  • (3S)-3-[(tert-ブチルオキシカルボニル)アミノ]-5-[1-メチル-2,3,3-トリス(tert-ブチルオキシカルボニル)グアニジノ]ペンタン酸
  • (3S)-5-[({ビス[(tert-ブトキシ)カルボニル]アミノ}({[(tert-ブトキシ)カルボニル]イミノ})メチル)(メチル)アミノ]-3-{[(tert-ブトキシ)カルボニル]アミノ}ペンタン酸
  • (3S)-5-[({bis[(tert-butoxy)carbonyl]amino}({[(tert-butoxy)carbonyl]imino})methyl)(methyl)amino]-3-{[(tert-butoxy)carbonyl]amino}pentanoic acid
Other name (1)：
  • (3S)-3-[(tert-Butyloxycarbonyl)amino]-5-[1-methyl-2,3,3-tris(tert-butyloxycarbonyl)guanidino]pentanoic acid
Thsaurus map：
Thesaurus Map

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