Chem
J-GLOBAL ID:200907026634212026   Nikkaji number:J1.038.285H

SB-30

Ac-D-βNal-4-クロロ-D-Phe-D-Trp-L-Ser-L-Tyr-D-Cit-L-Leu-L-Arg-L-Pro-D-Ala-NH2
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: C73H94ClN17O14
Molecular formula furigana: C73-H94-CL-N17-O14
Molecular weight: 1469.110
InChI: InChI=1S/C73H94ClN17O14/c1-40(2)32-55(64(97)85-54(17-10-29-79-72(76)77)71(104)91-31-11-18-61(91)70(103)82-41(3)62(75)95)86-63(96)53(16-9-30-80-73(78)105)84-66(99)57(35-44-22-27-50(94)28-23-44)88-69(102)60(39-92)90-68(101)59(37-48-38-81-52-15-8-7-14-51(48)52)89-67(100)58(34-43-20-25-49(74)26-21-43)87-65(98)56(83-42(4)93)36-45-19-24-46-12-5-6-13-47(46)33-45/h5-8,12-15,19-28,33,38,40-41,53-61,81,92,94H,9-11,16-18,29-32,34-37,39H2,1-4H3,(H2,75,95)(H,82,103)(H,83,93)(H,84,99)(H,85,97)(H,86,96)(H,87,98)(H,88,102)(H,89,100)(H,90,101)(H4,76,77,79)(H3,78,80,105)/t41-,53-,54+,55+,56-,57+,58-,59-,60+,61+/m1/s1
InChI key: AXIUPOOZUHMFHB-OZBKNRPLSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N
Systematic name  (3):
  • Ac-D-βNal-4-クロロ-D-Phe-D-Trp-L-Ser-L-Tyr-D-Cit-L-Leu-L-Arg-L-Pro-D-Ala-NH2
  • (2S)-N-[(2S)-5-カルバムイミドアミド-1-[(2S)-2-{[(1R)-1-カルバモイルエチル]カルバモイル}ピロリジン-1-イル]-1-オキソペンタン-2-イル]-2-[(2R)-5-(カルバモイルアミノ)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-クロロフェニル)-2-[(2R)-2-アセトアミド-3-(ナフタレン-2-イル)プロパンアミド]プロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-3-ヒドロキシプロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]ペンタンアミド]-4-メチルペンタンアミド
  • (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-[(2R)-5-(carbamoylamino)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanamido]-4-methylpentanamide
Other name (2):
  • Ac-D-βNal-4-Chloro-D-Phe-D-Trp-L-Ser-L-Tyr-D-Cit-L-Leu-L-Arg-L-Pro-D-Ala-NH2
  • SB-30
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