Chem
J-GLOBAL ID:200907000048328423
Nikkaji number:J1.423.940E
N-Boc-O-Bzl-Tyr-Gly-Gly-(Pentachlorophenyl)OH
N-Boc-O-Bzl-Tyr-Gly-Gly-(ペンタクロロフェニル)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 H30 Cl5 N3 O7
Molecular formula furigana:
C31-H30-CL5-N3-O7
Molecular weight:
733.850
InChI:
InChI=1S/C31H30Cl5N3O7/c1-31(2,3)46-30(43)39-20(13-17-9-11-19(12-10-17)44-16-18-7-5-4-6-8-18)29(42)38-14-21(40)37-15-22(41)45-28-26(35)24(33)23(32)25(34)27(28)36/h4-12,20H,13-16H2,1-3H3,(H,37,40)(H,38,42)(H,39,43)/t20-/m0/s1
InChI key:
NNJIIFFUJKPCGQ-FQEVSTJZSA-N
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)NCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Systematic name (3):
N-Boc-O-Bzl-Tyr-Gly-Gly-(ペンタクロロフェニル)OH
2,3,4,5,6-ペンタクロロフェニル 2-{2-[(2S)-3-[4-(ベンジルオキシ)フェニル]-2-{[(tert-ブトキシ)カルボニル]アミノ}プロパンアミド]アセトアミド}アセタート
2,3,4,5,6-pentachlorophenyl 2-{2-[(2S)-3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido]acetamido}acetate
Other name (1):
N-Boc-O-Bzl-Tyr-Gly-Gly-(Pentachlorophenyl)OH
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