Cas no 159565-67-0 ((4S)-4-[[(2S,3S)-2-Amino-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid)

(4S)-4-[[(2S,3S)-2-Amino-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid structure
159565-67-0 structure
Product Name:(4S)-4-[[(2S,3S)-2-Amino-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CAS No:159565-67-0
MF:C32H43N5O8
MW:625.712528467178
CID:199083
Update Time:2024-03-01

(4S)-4-[[(2S,3S)-2-Amino-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid Chemical and Physical Properties

Names and Identifiers

    • L-Alanine,L-isoleucyl-L-a-glutamyl-L-phenylalanyl-L-phenylalanyl-(9CI)
    • Rubellidin2.1
    • Rubellidin 2.1
    • (4S)-4-[[(2S,3S)-2-Amino-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1
    • (4S)-4-[[(2S,3S)-2-Amino-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
    • Inchi： 1S/C32H43N5O8/c1-4-19(2)27(33)31(43)35-23(15-16-26(38)39)28(40)36-25(18-22-13-9-6-10-14-22)30(42)37-24(17-21-11-7-5-8-12-21)29(41)34-20(3)32(44)45/h5-14,19-20,23-25,27H,4,15-18,33H2,1-3H3,(H,34,41)(H,35,43)(H,36,40)(H,37,42)(H,38,39)(H,44,45)/t19-,20-,23-,24-,25-,27-/m0/s1
    • InChI Key： XGYSJSNZTDADNM-GFRGYEAHSA-N
    • SMILES： O=C([C@H]([C@@H](C)CC)N)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)C)=O)CC1C=CC=CC=1)=O)CC1C=CC=CC=1)=O)CCC(=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 18
  • Complexity: 1010
  • XLogP3: -0.4
  • Topological Polar Surface Area: 217

(4S)-4-[[(2S,3S)-2-Amino-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid Related Literature

Related Categories

159565-67-0 ((4S)-4-[[(2S,3S)-2-Amino-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid) Related Products

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