Chem
J-GLOBAL ID:200907003111735319
Nikkaji number:J603.198F
Hemorphin-7
ヘモルフィン7
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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:
C49 H64 N12 O11
Molecular formula furigana:
C49-H64-N12-O11
Molecular weight:
997.124
InChI:
InChI=1S/C49H64N12O11/c1-27(62)41(46(69)57-36(19-20-40(51)64)43(66)56-35(13-7-21-54-49(52)53)42(65)59-38(48(71)72)24-28-9-3-2-4-10-28)60-44(67)37(25-30-26-55-34-12-6-5-11-32(30)34)58-45(68)39-14-8-22-61(39)47(70)33(50)23-29-15-17-31(63)18-16-29/h2-6,9-12,15-18,26-27,33,35-39,41,55,62-63H,7-8,13-14,19-25,50H2,1H3,(H2,51,64)(H,56,66)(H,57,69)(H,58,68)(H,59,65)(H,60,67)(H,71,72)(H4,52,53,54)/t27-,33+,35+,36+,37+,38+,39+,41+/m1/s1
InChI key:
PAJVBIPSWDYNHN-JMJBHNTOSA-N
SMILES:
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name (3):
L-Tyr-L-Pro-L-Trp-L-Thr-L-Gln-L-Arg-L-Phe-OH
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパノイル]ピロリジン-2-イル]ホルムアミド}-3-(1H-インドール-3-イル)プロパンアミド]-3-ヒドロキシブタンアミド]-4-カルバモイルブタンアミド]-5-カルバムイミドアミドペンタンアミド]-3-フェニルプロパン酸
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid
Other name (4):
ヘモルフィン7
Hemorphin 7
ヘモルフィン-7
Hemorphin-7
CAS registry number:
152685-85-3
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