Chem
J-GLOBAL ID:200907051750678703
Nikkaji number:J2.460.943J
ω,ω′-Bis(tert-butoxycarbonyl)-L-Arg-L-Ile-L-aThr-Gly-allyl OH
ω,ω′-ビス(tert-ブトキシカルボニル)-L-Arg-L-Ile-L-aThr-Gly-アリルOH
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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 H55 N7 O10
Molecular formula furigana:
C31-H55-N7-O10
Molecular weight:
685.820
InChI:
InChI=1S/C31H55N7O10/c1-11-16-46-21(40)17-34-25(42)23(19(4)39)36-26(43)22(18(3)12-2)35-24(41)20(32)14-13-15-33-27(37-28(44)47-30(5,6)7)38-29(45)48-31(8,9)10/h11,18-20,22-23,39H,1,12-17,32H2,2-10H3,(H,34,42)(H,35,41)(H,36,43)(H2,33,37,38,44,45)/t18-,19-,20-,22-,23-/m0/s1
InChI key:
TZGAMKQVMGLTSG-CWMMHYCISA-N
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)OCC=C
Systematic name (3):
ω,ω′-ビス(tert-ブトキシカルボニル)-L-Arg-L-Ile-L-aThr-Gly-アリルOH
プロパ-2-エン-1-イル 2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-アミノ-5-[({[(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)アミノ]ペンタンアミド]-3-メチルペンタンアミド]-3-ヒドロキシブタンアミド]アセタート
prop-2-en-1-yl 2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-amino-5-[({[(tert-butoxy)carbonyl]amino}({[(tert-butoxy)carbonyl]imino})methyl)amino]pentanamido]-3-methylpentanamido]-3-hydroxybutanamido]acetate
Other name (1):
ω,ω′-Bis(tert-butoxycarbonyl)-L-Arg-L-Ile-L-aThr-Gly-allyl OH
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