Chem
J-GLOBAL ID：200907063133283422
Nikkaji number：J579.226F
Nα-(1-Naphthoyl)-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
Nα-(1-ナフトイル)-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-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： C59H70N14O8
Molecular formula furigana： C59-H70-N14-O8
Molecular weight： 1103.299
InChI：
InChI=1S/C59H70N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-41-30-62-33-66-41)59(81)73-23-13-18-42(73)31-64-47(52(60)74)24-37-14-6-5-7-15-37)72-54(76)36(4)67-56(78)48(25-39-28-63-46-22-11-10-20-44(39)46)70-57(79)49(26-40-29-61-32-65-40)69-55(77)45-21-12-17-38-16-8-9-19-43(38)45/h5-12,14-17,19-22,28-30,32-36,42,47-51,63-64H,13,18,23-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,42-,47+,48+,49+,50+,51+/m1/s1
InChI key：
HUQXEPCMHOWNFL-GQHWFMIJSA-N
SMILES：
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(=O)N
Systematic name (3)：
- Nα-(1-ナフトイル)-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
- (2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-カルバモイル-2-フェニルエチル]アミノ}メチル)ピロリジン-1-イル]-3-(1H-イミダゾール-4-イル)-1-オキソプロパン-2-イル]カルバモイル}エチル]-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-イミダゾール-4-イル)-2-[(ナフタレン-1-イル)ホルムアミド]プロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]プロパンアミド]-3-メチルブタンアミド
- (2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-carbamoyl-2-phenylethyl]amino}methyl)pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}ethyl]-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(naphthalen-1-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-methylbutanamide
- Nα-(1-Naphthoyl)-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
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