Chem
J-GLOBAL ID:200907018162325163   Nikkaji number:J2.043.423F

Boc-L-Nva-L-Ala-[(2R,4S,5S)-2-Methyl-4-hydroxy-5-amino*-6-phenylhexanoyl]-Val-(4-pyridinylmethyl)NH2

Boc-L-Nva-L-Ala-[(2R,4S,5S)-2-メチル-4-ヒドロキシ-5-アミノ*-6-フェニルヘキサノイル]-Val-(4-ピリジニルメチル)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: C37H56N6O7
Molecular formula furigana: C37-H56-N6-O7
Molecular weight: 696.890
InChI: InChI=1S/C37H56N6O7/c1-9-13-28(42-36(49)50-37(6,7)8)34(47)40-25(5)33(46)41-29(21-26-14-11-10-12-15-26)30(44)20-24(4)32(45)43-31(23(2)3)35(48)39-22-27-16-18-38-19-17-27/h10-12,14-19,23-25,28-31,44H,9,13,20-22H2,1-8H3,(H,39,48)(H,40,47)(H,41,46)(H,42,49)(H,43,45)/t24-,25+,28+,29+,30+,31+/m1/s1
InChI key: IHHAXMCDSKPMPT-CUTTXCQYSA-N
SMILES: CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
Systematic name  (3):
  • Boc-L-Nva-L-Ala-[(2R,4S,5S)-2-メチル-4-ヒドロキシ-5-アミノ*-6-フェニルヘキサノイル]-Val-(4-ピリジニルメチル)NH2
  • tert-ブチル N-[(1S)-1-{[(1S)-1-{[(2S,3S,5R)-3-ヒドロキシ-5-メチル-5-{[(1S)-2-メチル-1-{[(ピリジン-4-イル)メチル]カルバモイル}プロピル]カルバモイル}-1-フェニルペンタン-2-イル]カルバモイル}エチル]カルバモイル}ブチル]カルバマート
  • tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,3S,5R)-3-hydroxy-5-methyl-5-{[(1S)-2-methyl-1-{[(pyridin-4-yl)methyl]carbamoyl}propyl]carbamoyl}-1-phenylpentan-2-yl]carbamoyl}ethyl]carbamoyl}butyl]carbamate
Other name (1):
  • Boc-L-Nva-L-Ala-[(2R,4S,5S)-2-Methyl-4-hydroxy-5-amino*-6-phenylhexanoyl]-Val-(4-pyridinylmethyl)NH2
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