Chem
J-GLOBAL ID：200907071520145375
Nikkaji number：J1.578.645K
Lys-Arg-Pro-O-Phosphono-Ser-Gln-Arg-His-Gly-Ser-Lys-Tyr-NH2
Lys-Arg-Pro-O-ホスホノ-Ser-Gln-Arg-His-Gly-Ser-Lys-Tyr-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： C57H96N23O18P
Molecular formula furigana： C57-H96-N23-O18-P
Molecular weight： 1422.512
InChI：
InChI=1S/C57H96N23O18P/c58-19-3-1-8-34(60)47(86)76-38(11-6-22-69-57(65)66)55(94)80-23-7-12-43(80)54(93)79-42(29-98-99(95,96)97)53(92)75-37(17-18-44(61)83)51(90)73-36(10-5-21-68-56(63)64)50(89)78-40(25-32-26-67-30-71-32)48(87)70-27-45(84)72-41(28-81)52(91)74-35(9-2-4-20-59)49(88)77-39(46(62)85)24-31-13-15-33(82)16-14-31/h13-16,26,30,34-43,81-82H,1-12,17-25,27-29,58-60H2,(H2,61,83)(H2,62,85)(H,67,71)(H,70,87)(H,72,84)(H,73,90)(H,74,91)(H,75,92)(H,76,86)(H,77,88)(H,78,89)(H,79,93)(H4,63,64,68)(H4,65,66,69)(H2,95,96,97)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
InChI key：
KMGOGNPBYWFPMA-IJXJCFDCSA-N
SMILES：
NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N
Systematic name (3)：
- Lys-Arg-Pro-O-ホスホノ-Ser-Gln-Arg-His-Gly-Ser-Lys-Tyr-NH2
- [(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-5-アミノ-1-{[(1S)-1-カルバモイル-2-(4-ヒドロキシフェニル)エチル]カルバモイル}ペンチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}メチル)カルバモイル]-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}-4-カルバムイミドアミドブチル]カルバモイル}-3-カルバモイルプロピル]カルバモイル}-2-{[(2S)-1-[(2S)-5-カルバムイミドアミド-2-[(2S)-2,6-ジアミノヘキサンアミド]ペンタノイル]ピロリジン-2-イル]ホルムアミド}エトキシ]ホスホン酸
- [(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanoyl]pyrrolidin-2-yl]formamido}ethoxy]phosphonic acid
- Lys-Arg-Pro-O-Phosphono-Ser-Gln-Arg-His-Gly-Ser-Lys-Tyr-NH2
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