Cas no 1417789-80-0 ((5S,18S)-1,22-Diamino-7,16-dioxo-6,8,15,17-tetraazadocosane-5,18-dicarboxylic Acid)

(5S,18S)-1,22-Diamino-7,16-dioxo-6,8,15,17-tetraazadocosane-5,18-dicarboxylic Acid structure
1417789-80-0 structure
Product Name:(5S,18S)-1,22-Diamino-7,16-dioxo-6,8,15,17-tetraazadocosane-5,18-dicarboxylic Acid
CAS No:1417789-80-0
MF:C20H40N6O6
MW:460.568204879761
MDL:MFCD16883073
CID:1056332
PubChem ID:56972873
Update Time:2025-04-20

(5S,18S)-1,22-Diamino-7,16-dioxo-6,8,15,17-tetraazadocosane-5,18-dicarboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • (5S,18S)-1,22-Diamino-7,16-dioxo-6,8,15,17-tetraazadocosane-5,18-dicarboxylic Acid
    • (2S,15S)-2,15-Bis(4-aminobutyl)-4,13-dioxo-3,5,12,14-tetraazahexa decane-1,16-dioic acid (non-preferred name)
    • (5S,18S)-1,22-DIAMINO-7,16-DIOXO-6,8,15,17-TETRAAZADOCOSANE-5,18-DICARBOXYLICACID
    • ((6-(3-((S)-5-amino-1-carboxypentyl)ureido)hexyl)carbamoyl)-L-lysine
    • (2S)-6-AMINO-2-({[6-({[(1S)-5-AMINO-1-CARBOXYPENTYL]CARBAMOYL}AMINO)HEXYL]CARBAMOYL}AMINO)HEXANOIC ACID
    • DB-223202
    • AC4178
    • 1417789-80-0
    • CS-0446289
    • (2S,15S)-2,15-Bis(4-aminobutyl)-4,13-dioxo-3,5,12,14-tetraazahexadecane-1,16-dioic acid
    • DTXSID70719859
    • A925000
    • MDL: MFCD16883073
    • Inchi: 1S/C20H40N6O6/c21-11-5-3-9-15(17(27)28)25-19(31)23-13-7-1-2-8-14-24-20(32)26-16(18(29)30)10-4-6-12-22/h15-16H,1-14,21-22H2,(H,27,28)(H,29,30)(H2,23,25,31)(H2,24,26,32)/t15-,16-/m0/s1
    • InChI Key: XINOBSKSTMDBRY-HOTGVXAUSA-N
    • SMILES: OC([C@H](CCCCN)NC(NCCCCCCNC(N[C@H](C(=O)O)CCCCN)=O)=O)=O

Computed Properties

  • Exact Mass: 460.30100
  • Monoisotopic Mass: 460.30093302g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 23
  • Complexity: 515
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -5.1
  • Topological Polar Surface Area: 209?2

Experimental Properties

  • PSA: 215.88000
  • LogP: 2.90080

(5S,18S)-1,22-Diamino-7,16-dioxo-6,8,15,17-tetraazadocosane-5,18-dicarboxylic Acid Pricemore >>

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Chemenu
CM324169-5g
(5S,18S)-1,22-Diamino-7,16-dioxo-6,8,15,17-tetraazadocosane-5,18-dicarboxylic Acid
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