Chem
J-GLOBAL ID:200907020213429117
Nikkaji number:J1.339.630B
L-Phe-L-Pro-L-Gln-L-Ser-L-Phe-L-Leu-L-Pro-L-Arg-Gly-NH2
L-Phe-L-Pro-L-Gln-L-Ser-L-Phe-L-Leu-L-Pro-L-Arg-Gly-NH2
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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:
C50 H74 N14 O11
Molecular formula furigana:
C50-H74-N14-O11
Molecular weight:
1047.229
InChI:
InChI=1S/C50H74N14O11/c1-29(2)24-36(49(75)64-23-11-18-39(64)47(73)58-33(16-9-21-56-50(54)55)42(68)57-27-41(53)67)61-44(70)35(26-31-14-7-4-8-15-31)60-45(71)37(28-65)62-43(69)34(19-20-40(52)66)59-46(72)38-17-10-22-63(38)48(74)32(51)25-30-12-5-3-6-13-30/h3-8,12-15,29,32-39,65H,9-11,16-28,51H2,1-2H3,(H2,52,66)(H2,53,67)(H,57,68)(H,58,73)(H,59,72)(H,60,71)(H,61,70)(H,62,69)(H4,54,55,56)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
InChI key:
OBPOIPFQZYZTSA-FDISYFBBSA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N
Systematic name (3):
L-Phe-L-Pro-L-Gln-L-Ser-L-Phe-L-Leu-L-Pro-L-Arg-Gly-NH2
(2S)-2-{[(2S)-1-[(2S)-2-アミノ-3-フェニルプロパノイル]ピロリジン-2-イル]ホルムアミド}-N-[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-4-カルバムイミドアミド-1-[(カルバモイルメチル)カルバモイル]ブチル]カルバモイル}ピロリジン-1-イル]-4-メチル-1-オキソペンタン-2-イル]カルバモイル}-2-フェニルエチル]カルバモイル}-2-ヒドロキシエチル]ペンタンジアミド
(2S)-2-{[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-[(carbamoylmethyl)carbamoyl]butyl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}-2-hydroxyethyl]pentanediamide
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