NA

ID: ALA4299263

Chembl Id: CHEMBL4299263

PubChem CID: 145948995

Max Phase: Preclinical

Molecular Formula: C88H141N19O12S3

Molecular Weight: 1753.42

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CCCCCCCCCCCCCCCCSCc1cc2cc(c1)CSC[C@H](N)C(=O)NCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(N)=O)C(=O)NCCCCCC(=O)N[C@H](C(N)=O)CSC2

Standard InChI:  InChI=1S/C88H141N19O12S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-29-47-120-55-63-49-64-51-65(50-63)57-122-59-73(78(91)111)101-77(110)41-26-20-28-43-97-80(113)72(54-75(90)108)106-81(114)67(37-30-44-98-87(92)93)102-85(118)74-39-32-46-107(74)86(119)68(38-31-45-99-88(94)95)103-84(117)71(53-62-35-23-18-24-36-62)105-82(115)69(48-60(2)3)104-83(116)70(52-61-33-21-17-22-34-61)100-76(109)40-25-19-27-42-96-79(112)66(89)58-121-56-64/h17-18,21-24,33-36,49-51,60,66-74H,4-16,19-20,25-32,37-48,52-59,89H2,1-3H3,(H2,90,108)(H2,91,111)(H,96,112)(H,97,113)(H,100,109)(H,101,110)(H,102,118)(H,103,117)(H,104,116)(H,105,115)(H,106,114)(H4,92,93,98)(H4,94,95,99)/t66-,67+,68+,69-,70+,71+,72+,73-,74+/m0/s1

Standard InChI Key:  GZODPDQDUVZUPV-AQVRSVHISA-N

Alternative Forms

1. Parent:

   

   ALA4299263

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1753.42

Molecular Weight (Monoisotopic): 1752.0169

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References

1. Micewicz ED, Bahattab OS, Willars GB, Waring AJ, Navab M, Whitelegge JP, McBride WH, Ruchala P..  (2015)  Small lipidated anti-obesity compounds derived from neuromedin U.,  101  [PMID:26204509] [10.1016/j.ejmech.2015.07.020]

Source

Source(1):

• Scientific Literature