Chem
J-GLOBAL ID：200907017057362804
Nikkaji number：J485.371G
N-tert-Butoxycarbonyl-L-Trp-N6-[3-(4-hydroxyphenyl)propanoyl]-L-Lys-L-Asp-N-methyl-L-Phe-NH2
N-tert-ブトキシカルボニル-L-Trp-N6-[3-(4-ヒドロキシフェニル)プロパノイル]-L-Lys-L-Asp-N-メチル-L-Phe-NH2
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
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
Molecular formula： C45H57N7O10
Molecular formula furigana： C45-H57-N7-O10
Molecular weight： 855.990
InChI：
InChI=1S/C45H57N7O10/c1-45(2,3)62-44(61)51-35(25-30-27-48-33-15-9-8-14-32(30)33)42(59)49-34(16-10-11-23-47-38(54)22-19-28-17-20-31(53)21-18-28)41(58)50-36(26-39(55)56)43(60)52(4)37(40(46)57)24-29-12-6-5-7-13-29/h5-9,12-15,17-18,20-21,27,34-37,48,53H,10-11,16,19,22-26H2,1-4H3,(H2,46,57)(H,47,54)(H,49,59)(H,50,58)(H,51,61)(H,55,56)/t34-,35-,36-,37-/m0/s1
InChI key：
UZPDYZMKKXCERD-BQYLNSIHSA-N
SMILES：
CN([C@@H](Cc1ccccc1)C(=O)N)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)CCc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Systematic name (3)：
- N-tert-ブトキシカルボニル-L-Trp-N6-[3-(4-ヒドロキシフェニル)プロパノイル]-L-Lys-L-Asp-N-メチル-L-Phe-NH2
- (3S)-3-[(2S)-2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-(1H-インドール-3-イル)プロパンアミド]-6-[3-(4-ヒドロキシフェニル)プロパンアミド]ヘキサンアミド]-3-{[(1S)-1-カルバモイル-2-フェニルエチル](メチル)カルバモイル}プロパン酸
- (3S)-3-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]-6-[3-(4-hydroxyphenyl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl](methyl)carbamoyl}propanoic acid
- N-tert-Butoxycarbonyl-L-Trp-N6-[3-(4-hydroxyphenyl)propanoyl]-L-Lys-L-Asp-N-methyl-L-Phe-NH2
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