Ac-Ala-Aib-Aib-Leu-Aib-Gln-Aib-Aib-Aib-Gln-Leu-Aib-Gln-Leu ol

ID: ALA427586

Chembl Id: CHEMBL427586

PubChem CID: 11967741

Max Phase: Preclinical

Molecular Formula: C66H117N17O18

Molecular Weight: 1436.76

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC(C)C

Standard InChI:  InChI=1S/C66H117N17O18/c1-33(2)29-38(32-84)71-48(90)39(23-26-44(67)86)73-53(95)60(9,10)79-51(93)42(30-34(3)4)72-49(91)40(24-27-45(68)87)74-55(97)62(13,14)82-59(101)66(21,22)83-58(100)65(19,20)78-50(92)41(25-28-46(69)88)75-54(96)61(11,12)80-52(94)43(31-35(5)6)76-56(98)63(15,16)81-57(99)64(17,18)77-47(89)36(7)70-37(8)85/h33-36,38-43,84H,23-32H2,1-22H3,(H2,67,86)(H2,68,87)(H2,69,88)(H,70,85)(H,71,90)(H,72,91)(H,73,95)(H,74,97)(H,75,96)(H,76,98)(H,77,89)(H,78,92)(H,79,93)(H,80,94)(H,81,99)(H,82,101)(H,83,100)/t36-,38-,39-,40-,41-,42-,43-/m0/s1

Standard InChI Key:  GTBZJZLLWQTLLH-TZLMNZOISA-N

Alternative Forms

1. Parent:

   

   ALA427586

   Ac-Ala-Aib-Aib-Leu-Aib-Gln-Aib-Aib-Aib-Gln-Leu-Aib-Gln-Leu-ol

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1436.76

Molecular Weight (Monoisotopic): 1435.8762

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References

1. Nguyen HH, Imhof D, Kronen M, Schlegel B, Härtl A, Gräfe U, Gera L, Reissmann S..  (2002)  Synthesis and biological evaluation of analogues of the peptaibol ampullosporin A.,  45  (13): [PMID:12061880] [10.1021/jm0208018]

Source

Source(1):

• Scientific Literature